SCHEMBL7716645

SCHEMBL7716645

CCC(C(=O)OC)c1ccc(O)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.70
ESR2 Q92731 4/20 0.70
LMNA P02545 2/20 0.51
HSD17B10 Q99714 1/20 0.51
MIF P14174 1/20 0.50
CYP1A2 P05177 1/20 0.48
PGR P06401 1/20 0.48
CHRM2 P08172 1/20 0.48
CYP3A4 P08684 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
AR P10275 1/20 0.48
CYP2D6 P10635 1/20 0.48
MAPT P10636 1/20 0.48
CHRM1 P11229 1/20 0.48
CYP2C9 P11712 1/20 0.48
ALOX15 P16050 1/20 0.48
DRD1 P21728 1/20 0.48
TBXA2R P21731 1/20 0.48
PTGS1 P23219 1/20 0.48
SLC6A2 P23975 1/20 0.48

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
SCHEMBL1679018 0.95 ESR1 (0.64) ESR1ESR2LMNAHSD17B10MIF
SCHEMBL1476384 0.85 L3MBTL1 (0.57) ESR1ESR2LMNATDP1L3MBTL1
SCHEMBL11117708 0.85 ESR1 (0.52) ESR1ESR2LMNAHSD17B10CYP1A2
SCHEMBL2295719 0.84 ESR1 (0.50) ESR1ESR2LMNACYP1A2CYP3A4
SCHEMBL7629387 0.84 L3MBTL1 (0.61) ESR1ESR2LMNAMAPTCYP2C9
SCHEMBL8912131 0.84 ESR1 (0.68) ESR1ESR2MIFALOX15TDP1
SCHEMBL8914122 0.84 ESR1 (0.68) ESR1ESR2LMNAHSD17B10MIF
SCHEMBL14340687 0.84 ESR1 (0.58) ESR1ESR2LMNACYP2C9CYP2C19
SCHEMBL6046251 0.84 ESR1 (0.50) ESR1ESR2LMNAMAPTPTGS1
SCHEMBL13687168 0.84 ESR1 (0.50) ESR1ESR2LMNAMAPTTDP1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113912547-B Substituted benzene imidazole derivative and application thereof 成都凡诺西生物医药科技有限公司 2024-04-30 CN disclosed
CN-113912547-A Substituted benzimidazole derivative and application thereof 成都凡诺西生物医药科技有限公司 2022-01-11 CN disclosed
CN-103159674-A 2-benzene alkyl amid compound and preparation method, medical composition and use thereof SUZHOU ANNUO BIOLOG MEDICAL TECHNOLOGY CO LTD 2013-06-19 CN disclosed
US-6376512-B1 FOR TREATING PHYSIOLOGICAL CONDITION IN PATIENT WHEREIN SAID CONDITION IS ASSOCIATED WITH A PHYSIOLOGICALLY DETRIMENTAL LEVELS OF INSULIN, GLUCOSE, FREE FATTY ACIDS, OR TRIGLYCERIDES AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-04-23 US disclosed
EP-0315399-B1 Quinoline derivatives, their use in the treatment of hypersensitive ailments and a pharmaceutical composition containing the same RHONE POULENC RORER INT (US) 1996-01-10 EP disclosed
US-5059610-A QUINOLINE DERIVATIVES AND THEIR USE AS ANTAGONISTS OF LEUKOTRIENE D4 RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1991-10-22 US disclosed
US-4920132-A Quinoline derivatives and use thereof as antagonists of leukotriene D4 RORER PHARMACEUTICAL CORP. (US) 1990-04-24 US disclosed
US-4761420-A CARDIOVASCULAR DISORDERS LABORATOIRES SYNTEX S.A. (FR) 1988-08-02 US disclosed
EP-0249245-A2 Antihypertensive dihydropyridine derivatives LABORATOIRES SYNTEX S.A. (FR) 1987-12-16 EP disclosed