SCHEMBL1835136

SCHEMBL1835136

COC(=O)CCC(C)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.60
TSHR P16473 3/20 0.52
SLC1A1 P43005 1/20 0.52
GABRR1 P24046 2/20 0.48
LTA4H P09960 1/20 0.42
BLM P54132 1/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ACE2 Q9BYF1 1/20 0.39
LMNA P02545 1/20 0.39
CA12 O43570 2/20 0.39
CA14 Q9ULX7 2/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39

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
SCHEMBL12356342 1.00 CYP1A2 (0.60) CYP1A2TSHRSLC1A1GABRR1LTA4H
SCHEMBL1835138 1.00 CYP1A2 (0.60) CYP1A2TSHRSLC1A1GABRR1LTA4H
SCHEMBL233224 0.85 LTA4H (0.56) CYP1A2TSHRSLC1A1GABRR1LTA4H
SCHEMBL3595528 0.84 CYP1A2 (0.62) CYP1A2SLC1A1GABRR1LTA4HBLM
Hydrochloric Acid SCHEMBL1228512 0.84 LTA4H (0.55) CYP1A2TSHRSLC1A1GABRR1LTA4H
SCHEMBL14360056 0.84 LTA4H (0.55) CYP1A2TSHRSLC1A1GABRR1LTA4H
SCHEMBL12951358 0.82 TSHR (0.52) CYP1A2TSHRSLC1A1MEN1KMT2A
SCHEMBL265551 0.82 TSHR (0.52) CYP1A2TSHRSLC1A1MEN1KMT2A
SCHEMBL11062326 0.82 TSHR (0.52) CYP1A2TSHRSLC1A1MEN1KMT2A
SCHEMBL16300949 0.82 TSHR (0.52) CYP1A2TSHRSLC1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101490271-B Methods and materials for making simvastatin and related compounds UNIV CALIFORNIA 2014-03-12 CN claimed
EP-3356375-A1 PROCESS FOR RECOVERING A MIXTURE COMPRISING A (THIO)PHOSPHORIC ACID DERIVATIVE BASF SE (DE) 2018-08-08 EP disclosed
US-9760030-B2 Electrophotographic photosensitive member, process cartridge, and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2017-09-12 US disclosed
US-9392785-B2 Use of esteramides as solvents, novel esteramides and process for preparing esteramides RHODIA OPERATIONS (FR) 2016-07-19 US disclosed
US-9392785-B2 Use of esteramides as solvents, novel esteramides and process for preparing esteramides RHODIA OPERATIONS (FR) 2016-07-19 US disclosed
US-20160116853-A1 ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER, PROCESS CARTRIDGE, AND ELECTROPHOTOGRAPHIC APPARATUS CANON KABUSHIKI KAISHA (JP) 2016-04-28 US disclosed
US-20160054666-A1 ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER, METHOD FOR PRODUCING ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER, PROCESS CARTRIDGE, AND ELECTROPHOTOGRAPHIC APPARATUS CANON KK (JP) 2016-02-25 US disclosed
US-20150277247-A1 ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER, PROCESS CARTRIDGE, AND ELECTROPHOTOGRAPHIC APPARATUS CANON KK (JP) 2015-10-01 US disclosed
US-20150277246-A1 ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER, PROCESS CARTRIDGE, AND ELECTROPHOTOGRAPHIC APPARATUS CANON KK (JP) 2015-10-01 US disclosed
US-9141008-B2 Electrophotographic photosensitive member, process cartridge, electrophotographic apparatus, and imide compound CANON KABUSHIKI KAISHA (JP) 2015-09-22 US disclosed
US-4192882-A SUBSTITUTED INDOLES FOR RELIEVING ANGIOTENSIN RELATED HYPERTENSION E. R. SQUIBB & SONS, INC. (US) 1980-03-11 US disclosed
US-4192881-A RELIEVING ANGIOTENSIN RELATED HYPERTENSION E. R. SQUIBB & SONS, INC. (US) 1980-03-11 US disclosed
US-4154937-A ANGIOTENSIN CONVERTING ENZYME INHIBITORS E. R. SQUIBB & SONS, INC. (US) 1979-05-15 US disclosed
US-4153725-A ANGIOTENSIN CONVERTING ENZYME INHIBITORS E. R. SQUIBB & SONS, INC. (US) 1979-05-08 US disclosed
US-4146641-A ANGIOTENSIN CONVERTING ENZYME INHIBITORS E. R. SQUIBB & SONS, INC. (US) 1979-03-27 US disclosed
US-4146639-A ANGIOTENSIN CONVERTING ENZYME INHIBITORS E. R. SQUIBB & SONS, INC. (US) 1979-03-27 US disclosed
US-4128653-A Reduction of blood pressure with carboxyalkylacyl-pipecolic acid derivatives E. R. SQUIBB & SONS, INC. (US) 1978-12-05 US disclosed
US-4105789-A Carboxyalkylacylamino acids E. R. SQUIBB & SONS, INC. (US) 1978-08-08 US disclosed
US-4086338-A HYPOTENSIVE AGENTS, ANGIOTENSIN CONVERTING ENZYME INHIBITORS E. R. SQUIBB & SONS, INC. (US) 1978-04-25 US disclosed
US-4052511-A ANGIOTENSIN CONVERTING ENZYME INHIBITORS E. R. SQUIBB & SONS, INC. (US) 1977-10-04 US disclosed