SCHEMBL8933407

SCHEMBL8933407

CCCc1cc(/C=C2\SCN(C)C2=O)cc(C(C)(C)C)c1O

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.44
PTGS1 P23219 6/20 0.44
ALOX5 P09917 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
EEF2K O00418 1/20 0.38
SRC P12931 1/20 0.38

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
SCHEMBL8895054 1.00 PTGS2 (0.44) PTGS2PTGS1ALOX5CYP1A2CYP2C9
SCHEMBL8532254 0.90 CYP1A2 (0.40) PTGS2PTGS1ALOX5CYP1A2CYP2C9
SCHEMBL8532250 0.90 CYP1A2 (0.40) PTGS2PTGS1ALOX5CYP1A2CYP2C9
SCHEMBL8532780 0.87 PTGS2 (0.56) PTGS2PTGS1ALOX5CYP1A2CYP2C9
SCHEMBL8532777 0.87 PTGS2 (0.56) PTGS2PTGS1ALOX5CYP1A2CYP2C9
SCHEMBL8893231 0.82 PTGS2 (0.48) PTGS2PTGS1ALOX5CYP1A2CYP2C9
SCHEMBL8991978 0.82 PTGS2 (0.48) PTGS2PTGS1ALOX5CYP1A2CYP2C9
SCHEMBL8957287 0.81 CYP1A2 (0.50) PTGS2PTGS1ALOX5CYP1A2CYP2C9
SCHEMBL8957294 0.80 PTGS2 (0.45) PTGS2PTGS1ALOX5CYP1A2CYP2C9
SCHEMBL8957291 0.80 PTGS2 (0.45) PTGS2PTGS1ALOX5CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996022772-A1 METHOD FOR TREATING MULTIPLE SCLEROSIS ELI LILLY AND COMPANY (US) 1996-08-01 WO disclosed
EP-0722729-A2 Aryl-substituted rhodanines for treating multiple sclerosis ELI LILLY AND COMPANY (US) 1996-07-24 EP disclosed
EP-0391644-B1 Aryl-substituted rhodanine derivatives LILLY CO ELI (US) 1996-06-19 EP disclosed
EP-0691129-A2 Thiazolidone and pyrrolidinone compounds for inhibiting bone loss ELI LILLY AND COMPANY (US) 1996-01-10 EP disclosed
US-5356917-A Antiischemic, antiinflammatory, antiarthritic agents, treat-ment of dystrophic mammals ELI LILLY AND COMPANY (US) 1994-10-18 US disclosed
US-5158966-A Aryl-substituted rhodanine derivatives THE UNIVERSITY OF COLORADO FOUNDATION, INC. (US) 1992-10-27 US disclosed
EP-0500337-A1 Composition containing aryl-substituted rhodanine derivatives for the treatment of type I diabetes UNIVERSITY OF COLORADO FOUNDATION, INC. (US) 1992-08-26 EP disclosed