SCHEMBL8991929

SCHEMBL8991929

Cc1cc(/C=C2\SCN(N(C)C)C2=O)cc(C(C)(C)C)c1O

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.45
PTGS1 P23219 7/20 0.45
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
ALOX5 P09917 1/20 0.41
EEF2K O00418 1/20 0.39
SRC P12931 1/20 0.39
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 2/20 0.38
GAA P10253 2/20 0.38
KMT2A Q03164 2/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 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
SCHEMBL8894724 1.00 PTGS2 (0.45) PTGS2PTGS1CYP1A2CYP2C9ALOX5
SCHEMBL2746044 0.93 PTGS2 (0.52) PTGS2PTGS1CYP1A2CYP2C9ALOX5
SCHEMBL2746042 0.93 PTGS2 (0.52) PTGS2PTGS1CYP1A2CYP2C9ALOX5
SCHEMBL6430738 0.84 PTGS2 (0.45) PTGS2PTGS1CYP1A2CYP2C9ALOX5
SCHEMBL6430736 0.84 PTGS2 (0.45) PTGS2PTGS1CYP1A2CYP2C9ALOX5
SCHEMBL8991978 0.84 PTGS2 (0.48) PTGS2PTGS1CYP1A2CYP2C9ALOX5
SCHEMBL8893231 0.84 PTGS2 (0.48) PTGS2PTGS1CYP1A2CYP2C9ALOX5
SCHEMBL8582992 0.83 PTGS2 (0.47) PTGS2PTGS1CYP1A2CYP2C9ALOX5
SCHEMBL8992006 0.83 PTGS2 (0.47) PTGS2PTGS1CYP1A2CYP2C9ALOX5
SCHEMBL8933401 0.82 PTGS2 (0.49) PTGS2PTGS1CYP1A2CYP2C9ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5356917-A Antiischemic, antiinflammatory, antiarthritic agents, treat-ment of dystrophic mammals ELI LILLY AND COMPANY (US) 1994-10-18 US claimed
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
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