SCHEMBL8991920

SCHEMBL8991920

CC(C)(C)c1cc(/C=C2\SCN(CC#N)C2=O)cc(C(C)(C)C)c1O

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.52
PTGS1 P23219 6/20 0.50
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
ALOX5 P09917 1/20 0.45
EEF2K O00418 1/20 0.44
SRC P12931 1/20 0.44

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
SCHEMBL8895522 1.00 PTGS2 (0.52) PTGS2PTGS1CYP1A2CYP2C9ALOX5
SCHEMBL8822335 0.88 PTGS2 (0.50) PTGS2PTGS1CYP1A2CYP2C9ALOX5
SCHEMBL8822340 0.88 PTGS2 (0.50) PTGS2PTGS1CYP1A2CYP2C9ALOX5
SCHEMBL8991918 0.88 PTGS2 (0.52) PTGS2PTGS1CYP1A2CYP2C9ALOX5
SCHEMBL8895401 0.88 PTGS2 (0.52) PTGS2PTGS1CYP1A2CYP2C9ALOX5
SCHEMBL8896290 0.85 PTGS2 (0.50) PTGS2PTGS1CYP1A2CYP2C9ALOX5
SCHEMBL8893201 0.85 PTGS2 (0.50) PTGS2PTGS1CYP1A2CYP2C9ALOX5
SCHEMBL8933397 0.85 PTGS2 (0.50) PTGS2PTGS1CYP1A2CYP2C9ALOX5
SCHEMBL8933259 0.85 PTGS2 (0.50) PTGS2PTGS1CYP1A2CYP2C9ALOX5
SCHEMBL8933436 0.84 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 5 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