SCHEMBL3245946

SCHEMBL3245946

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

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 9/20 0.41
TSHR P16473 3/20 0.36
TP53 P04637 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
EGLN3 Q9H6Z9 1/20 0.36
ALDH1A1 P00352 2/20 0.33
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
HIF1A Q16665 1/20 0.32
KDM4E B2RXH2 1/20 0.30
MAPT P10636 1/20 0.30
TDP1 Q9NUW8 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 0.94 ALDH1A1 (0.37) HCAR2TSHRALDH1A1CYP2D6CYP2C19
SCHEMBL3245949 0.94 ALDH1A1 (0.37) HCAR2TSHRALDH1A1CYP2D6CYP2C19
SCHEMBL27092915 0.92 ALDH1A1 (0.36) HCAR2TSHRALDH1A1CYP2D6CYP2C19
SCHEMBL9066054 0.92 ALDH1A1 (0.36) HCAR2TSHRALDH1A1CYP2D6CYP2C19
SCHEMBL2793471 0.92 ALDH1A1 (0.36) HCAR2TSHRALDH1A1CYP2D6CYP2C19
SCHEMBL2971818 0.92 ALDH1A1 (0.36) HCAR2TSHRALDH1A1CYP2D6CYP2C19
SCHEMBL12500512 0.92 ALDH1A1 (0.36) HCAR2TSHRALDH1A1CYP2D6CYP2C19
Maleic Acid SCHEMBL8324326 0.88 HCAR2 (0.33) HCAR2
SCHEMBL10945079 0.82
SCHEMBL5177120 0.79 ALDH1A1 (0.36) TSHRALDH1A1CYP2D6CYP2C19HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106749496-A New triptolide derivative and its preparation and use 张奇军 2017-05-31 CN claimed
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-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
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
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
US-6930037-B2 Process for forming a metal interconnect NEC ELECTRONICS CORPORATION (JP) 2005-08-16 US claimed
EP-0988366-B1 DETERSIVE ENZYME PARTICLES HAVING WATER-SOLUBLE CARBOXYLATE BARRIER LAYER AND COMPOSITIONS INCLUDING SAME PROCTER & GAMBLE (US) 2003-11-19 EP claimed
EP-0988366-A1 DETERSIVE ENZYME PARTICLES HAVING WATER-SOLUBLE CARBOXYLATE BARRIER LAYER AND COMPOSITIONS INCLUDING SAME THE PROCTER & GAMBLE COMPANY (US) 2000-03-29 EP claimed
WO-1998055577-A1 DETERSIVE ENZYME PARTICLES HAVING WATER-SOLUBLE CARBOXYLATE BARRIER LAYER AND COMPOSITIONS INCLUDING SAME THE PROCTER & GAMBLE COMPANY (US) 1998-12-10 WO claimed
JP-1156985-A None JP disclosed
WO-2023181077-A1 STABLE LIQUID COMPOSITION COMPRISING OBETICHOLIC ACID OR SALTS THEREOF ZENVISION PHARMA LLP (IN) 2023-09-28 WO disclosed
WO-2023157025-A1 NOVEL PHARMACEUTICAL OR NUTRACEUTICAL COMPOSITION FOR TREATING OR PREVENTING EPILEPSY ZENVISION PHARMA LLP (IN) 2023-08-24 WO 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
JP-H01156985-A NEW CALCIUM SUPPLEMENT NORWICH EATON PHARMACEUT INC 1989-06-20 JP disclosed