SCHEMBL9254070

SCHEMBL9254070

C[C](C)Oc1cccc(C(F)(F)F)c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.48
PRSS1 P07477 1/20 0.48
ACR P10323 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MAOB P27338 3/20 0.46
AOC3 Q16853 1/20 0.45
FAAH O00519 1/20 0.45
MAPT P10636 1/20 0.44
PPARG P37231 4/20 0.44
PPARA Q07869 1/20 0.44
CES2 O00748 1/20 0.44
MGLL Q99685 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.43

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
SCHEMBL9797942 0.85 ATM (0.46) ATMPRSS1ACRL3MBTL1KDM4E
SCHEMBL869141 0.85 CYP3A4 (0.58) ATMPRSS1ACRKDM4EMAOB
SCHEMBL12469535 0.82 ATM (0.50) ATMPRSS1ACRKDM4EMAOB
SCHEMBL11904756 0.81 PRSS1 (0.55) ATMPRSS1ACRKDM4EMAOB
SCHEMBL30116329 0.81 PRSS1 (0.55) ATMPRSS1ACRKDM4EMAOB
SCHEMBL11860150 0.81 PRSS1 (0.55) ATMPRSS1ACRKDM4EMAOB
SCHEMBL15836532 0.80 ATM (0.48) ATMPRSS1ACRKDM4EMAOB
SCHEMBL18697300 0.79 PRSS1 (0.54) ATMPRSS1ACRKDM4EMAOB
SCHEMBL11848431 0.79 PPARG (0.54) ATMPRSS1ACRKDM4EFAAH
SCHEMBL18240840 0.79 MAPT (0.53) ATMPRSS1ACRKDM4EFAAH

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
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-0389162-B1 2,5,6,7-Tetranor-4,8-inter-m-phenylene PGI2 derivatives TORAY INDUSTRIES (JP) 1993-12-08 EP disclosed
US-5086071-A Improved chemical stability and ppotent in vivo TORAY INDUSTRIES, INC. (JP) 1992-02-04 US 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-0389162-A1 2,5,6,7-Tetranor-4,8-inter-m-phenylene PGI2 derivatives TORAY INDUSTRIES, INC. (JP) 1990-09-26 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-4775692-A ANTILIPEMIC, ANTICOAGULANT, HYPOTENSIVE, ANTISECRETORY AND ANTIULCER AGENT TORAY INDUSTRIES, INC. (JP) 1988-10-04 US 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