SCHEMBL3245949

SCHEMBL3245949

O=C(O)CC(CC(=O)O)(OC(=O)/C=C\C(=O)OC(CC(=O)O)(CC(=O)O)C(=O)O)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
HIF1A Q16665 1/20 0.36
HMGCR P04035 1/20 0.32
CHRM1 P11229 1/20 0.32
TBXA2R P21731 1/20 0.32
ADRA1A P35348 1/20 0.32
ACLY P53396 3/20 0.31
HCAR2 Q8TDS4 2/20 0.31
CPT2 P23786 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28323653 1.00 ALDH1A1 (0.37) ALDH1A1CYP2D6TSHRCYP2C19HIF1A
SCHEMBL9066054 0.98 ALDH1A1 (0.36) ALDH1A1CYP2D6TSHRCYP2C19HIF1A
SCHEMBL2971818 0.98 ALDH1A1 (0.36) ALDH1A1CYP2D6TSHRCYP2C19HIF1A
SCHEMBL2793471 0.98 ALDH1A1 (0.36) ALDH1A1CYP2D6TSHRCYP2C19HIF1A
SCHEMBL27092915 0.98 ALDH1A1 (0.36) ALDH1A1CYP2D6TSHRCYP2C19HIF1A
SCHEMBL12500512 0.98 ALDH1A1 (0.36) ALDH1A1CYP2D6TSHRCYP2C19HIF1A
SCHEMBL3245946 0.94 HCAR2 (0.41) ALDH1A1CYP2D6TSHRCYP2C19HIF1A
SCHEMBL5177120 0.84 ALDH1A1 (0.36) ALDH1A1CYP2D6TSHRCYP2C19HIF1A
Maleic Acid SCHEMBL8324326 0.83 HCAR2 (0.33) HCAR2
SCHEMBL9878914 0.83 ALDH1A1 (0.35) ALDH1A1CYP2D6TSHRCYP2C19HIF1A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017017677-A1 COMBINATION TREATMENT FOR LIVER DISEASE GALMED RESEARCH AND DEVELOPMENT LTD. (IL) 2017-02-02 WO claimed
US-9072693-B2 Micronutrient supplement with calcium, vitamin D or calcium and vitamin D combination for premenstrual/menstrual relief THYS-JACOBS SUSAN (US) 2015-07-07 US claimed
EP-1753403-B1 PARTICULATE COMPRISING A CALCIUM-CONTAINING COMPOUND AND A SUGAR ALCOHOL TAKEDA NYCOMED AS (NO) 2014-08-13 EP claimed
EP-1962807-B1 FILM-COATED AND/OR GRANULATED CALCIUM-CONTAINING COMPOUNDS AND USE THEREOF IN PHARMACEUTICAL COMPOSITIONS TAKEDA NYCOMED AS (NO) 2014-08-06 EP claimed
EP-2436378-B1 Film-coated and/or granulated calcium-containing compounds and use thereof in pharmaceutical compositions TAKEDA NYCOMED AS (NO) 2014-08-06 EP claimed
US-20120195981-A1 MICRONUTRIENT SUPPLEMENT WITH CALCIUM, VITAMIN D OR CALCIUM & VITAMIN D COMBINATION FOR PREMENSTRUAL SYNDROME, POSTPARTUM DEPRESSION, DEPRESSION AND PANIC ATTACKS THYS-JACOBS SUSAN (US) 2012-08-02 US claimed
US-20090263508-A1 MICRONUTRIENT SUPPLEMENT WITH CALCIUM, VITAMIN D OR CALCIUM & VITAMIN D COMBINATION FOR PREMENSTRUAL SYNDROME, POSTPARTUM DEPRESSION, DEPRESSION AND PANIC ATTACKS THYS-JACOBS SUSAN 2009-10-22 US claimed
US-20070098819-A1 Micronutrient supplement with calcium, vitamin D or calcium & vitamin D combination for premenstrual syndrome, postpartum depression, depression and panic attacks THYS-JACOBS SUSAN 2007-05-03 US claimed
WO-2017017677-A1 COMBINATION TREATMENT FOR LIVER DISEASE GALMED RESEARCH AND DEVELOPMENT LTD. (IL) 2017-02-02 WO disclosed
US-9072693-B2 Micronutrient supplement with calcium, vitamin D or calcium and vitamin D combination for premenstrual/menstrual relief THYS-JACOBS SUSAN (US) 2015-07-07 US disclosed
US-9072693-B2 Micronutrient supplement with calcium, vitamin D or calcium and vitamin D combination for premenstrual/menstrual relief THYS-JACOBS SUSAN (US) 2015-07-07 US disclosed
US-20120195981-A1 MICRONUTRIENT SUPPLEMENT WITH CALCIUM, VITAMIN D OR CALCIUM & VITAMIN D COMBINATION FOR PREMENSTRUAL SYNDROME, POSTPARTUM DEPRESSION, DEPRESSION AND PANIC ATTACKS THYS-JACOBS SUSAN (US) 2012-08-02 US disclosed
US-20120195981-A1 MICRONUTRIENT SUPPLEMENT WITH CALCIUM, VITAMIN D OR CALCIUM & VITAMIN D COMBINATION FOR PREMENSTRUAL SYNDROME, POSTPARTUM DEPRESSION, DEPRESSION AND PANIC ATTACKS THYS-JACOBS SUSAN (US) 2012-08-02 US disclosed
US-7807641-B2 Methods and reagents for treating glucose metabolic disorders CURIS, INC. (US) 2010-10-05 US disclosed
US-20070098819-A1 Micronutrient supplement with calcium, vitamin D or calcium & vitamin D combination for premenstrual syndrome, postpartum depression, depression and panic attacks THYS-JACOBS SUSAN 2007-05-03 US disclosed
US-20070098819-A1 Micronutrient supplement with calcium, vitamin D or calcium & vitamin D combination for premenstrual syndrome, postpartum depression, depression and panic attacks THYS-JACOBS SUSAN 2007-05-03 US disclosed
US-20040228846-A1 Methods and reagents for treating glucose metabolic disorders CURIS, INC. 2004-11-18 US disclosed
US-6558690-B2 To be administered concurrently with the lipase inhibitor to negate the action of the latter in inhibiting the release of cholecystokinin (CCK) which, in turn, reduces the feeling of satiety and stimulates appetite PACIFIC HEALTH LABORATORIES, INC. 2003-05-06 US disclosed
US-20020110580-A1 Nutritional composition for improving the efficacy of a lipase inhibitor ANAYA PERSONAL CARE PRODUCTS LLC 2002-08-15 US disclosed
WO-2002047614-A2 NUTRITIONAL COMPOSITION FOR IMPROVING THE EFFICACY OF A LIPASE INHIBITOR PACIFIC HEALTH LABORATORIES, INC. (US) 2002-06-20 WO disclosed