SCHEMBL8536499

SCHEMBL8536499

Cc1cc(/C=C2\SCNC2=O)cc(C(C)(C)C)c1O

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 11/20 0.55
▸ PTGS1 P23219 7/20 0.55
▸ GAA P10253 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ CYP1A2 P05177 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ ALOX5 P09917 1/20 0.44
▸ EEF2K O00418 1/20 0.43
▸ SRC P12931 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
SCHEMBL8536501 1.00 PTGS2 (0.55) PTGS2PTGS1GAAMEN1NPC1
SCHEMBL3263476 0.92 PTGS2 (0.64) PTGS2PTGS1GAACYP1A2CYP2C9
SCHEMBL3263474 0.92 PTGS2 (0.64) PTGS2PTGS1GAACYP1A2CYP2C9
SCHEMBL8532801 0.81 PTGS2 (0.50) PTGS2PTGS1GAAMEN1ALDH1A1
SCHEMBL8532799 0.81 PTGS2 (0.50) PTGS2PTGS1GAAMEN1ALDH1A1
SCHEMBL9473753 0.80 PTGS2 (0.43) PTGS2PTGS1GAAALDH1A1POLB
SCHEMBL8822308 0.79 PTGS2 (0.61) PTGS2PTGS1GAACYP1A2CYP2C9
SCHEMBL8822313 0.79 PTGS2 (0.61) PTGS2PTGS1GAACYP1A2CYP2C9
SCHEMBL8535412 0.79 PTGS2 (0.85) PTGS2PTGS1GAAMEN1NPC1
SCHEMBL8535410 0.79 PTGS2 (0.85) PTGS2PTGS1GAAMEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0434394-B1 Compounds for treating inflammatory bowel disease LILLY CO ELI (US) 1998-08-05 — — EP disclosed
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-5387690-A Method of treating inflammatory bowel disease ELI LILLY AND COMPANY (US) 1995-02-07 — — US 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
EP-0434394-A2 Compounds for treating inflammatory bowel disease ELI LILLY AND COMPANY (US) 1991-06-26 — — EP disclosed
EP-0391644-A2 Aryl-substituted rhodanine derivatives ELI LILLY AND COMPANY (US) 1990-10-10 — — EP disclosed
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