SCHEMBL9255616

SCHEMBL9255616

COP(=O)(CC(=O)C(C)(C)Oc1ccccc1)OC

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARG P37231 11/20 0.43
POLB P06746 2/20 0.41
LMNA P02545 1/20 0.41
PPARA Q07869 11/20 0.41
PPARD Q03181 4/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP2C19 P33261 2/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
KMT2A Q03164 1/20 0.39
BTN3A1 O00481 1/20 0.39
ALDH1A1 P00352 1/20 0.38
CYP2C9 P11712 1/20 0.37

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
SCHEMBL7616018 0.85 PPARA (0.55) PPARGPOLBLMNAPPARAPPARD
SCHEMBL1618680 0.84 PPARG (0.44) PPARGPPARAPPARDMAPTKDM4E
SCHEMBL7167664 0.83 POLB (0.41) POLBLMNACYP2C19CYP1A2BTN3A1
SCHEMBL11516039 0.81 PPARA (0.51) PPARGPOLBLMNAPPARAPPARD
Lithium Ion SCHEMBL9303151 0.81 PPARG (0.43) PPARGPPARAPPARDMAPTKDM4E
SCHEMBL7167780 0.79 PPARG (0.41) PPARGPOLBLMNAPPARAPPARD
SCHEMBL10547306 0.78 ALDH1A1 (0.41) PPARGPOLBPPARAPPARDMAPT
SCHEMBL6672222 0.78 MAPT (0.46) POLBLMNAMAPTKDM4ECYP2C19
SCHEMBL7695204 0.76 PPARA (0.57) PPARAMEN1KMT2A
SCHEMBL11383504 0.76 PPARG (0.46) PPARGPOLBPPARAPPARDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5401768-A Prostaglandin derivative, antiulcer, hypotensive, anticoagulant TORAY INDUSTRIES, INC. (JP) 1995-03-28 US disclosed
EP-0365678-B1 2,5,6,7-TETRANOR-4,8-INTER-m-PHENYLENE PGI 2 DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND USE THEREOF TORAY INDUSTRIES (JP) 1994-01-05 EP disclosed
EP-0232776-B1 2,5,6,7-TETRANOR-4,8-INTER-M-PHENYLENE PGI2 DERIVATIVES TORAY INDUSTRIES, INC. (JP) 1990-10-24 EP disclosed
EP-0365678-A1 2,5,6,7-TETRANOR-4,8-INTER-m-PHENYLENE PGI 2 DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND USE THEREOF TORAY INDUSTRIES, INC. (JP) 1990-05-02 EP disclosed
US-4822804-A 5,6,7,-trinor-4,8-inter-m-phenylene 2-nor PGI2 derivatives and anti-ulcer, anti-thrombotic and anti-hypertensive pharmaceutical compositions containing them TORAY INDUSTRIES, INC. (JP) 1989-04-18 US disclosed
US-4775692-A ANTILIPEMIC, ANTICOAGULANT, HYPOTENSIVE, ANTISECRETORY AND ANTIULCER AGENT TORAY INDUSTRIES, INC. (JP) 1988-10-04 US disclosed
EP-0273216-A2 Prostacyclin analogue and anti-ulcer composition containing it as active ingredient SAGAMI CHEMICAL RESEARCH CENTER (JP) 1988-07-06 EP disclosed
EP-0232776-A2 2,5,6,7-tetranor-4,8-inter-m-phenylene PGI2 derivatives TORAY INDUSTRIES, INC. (JP) 1987-08-19 EP disclosed
US-4304907-A Bicyclo lactone intermediates for prostaglandin analogs THE UPJOHN COMPANY (US) 1981-12-08 US disclosed
US-4303796-A 16-Phenoxy prostaglandin F2α analogs THE UPJOHN COMPANY (US) 1981-12-01 US disclosed
US-4154950-A PROSTAGLANDIN, WOUND HEALING AGENTS, OXYTOCICS, ANTIULCER AGENTS, ANTICOAGULANT, DECONGESTANT THE UPJOHN COMPANY (US) 1979-05-15 US disclosed
US-4116988-A 16-Phenoxy prostaglandin E1 analogs THE UPJOHN COMPANY (US) 1978-09-26 US disclosed
US-4116989-A 16-Phenoxy prostaglandin F1α analogs THE UPJOHN COMPANY (US) 1978-09-26 US disclosed
US-4087616-A 16-Phenoxy prostaglandin A2 analogs THE UPJOHN COMPANY (US) 1978-05-02 US disclosed
US-4001300-A ANTIULCER, DECONGESTANT, LABOR INDUCER, WOUND HEALER THE UPJOHN COMPANY (US) 1977-01-04 US disclosed