SCHEMBL7568295

SCHEMBL7568295

Cc1c(Br)cc2c(c1C(C)(C)C)OCC2(C)C

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 18/20 0.41
PTGS1 P23219 17/20 0.41
ALOX5 P09917 14/20 0.41

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
SCHEMBL7563291 0.88 PTGS2 (0.38) PTGS2PTGS1ALOX5
SCHEMBL7562425 0.77 PTGS1 (0.32) PTGS2PTGS1ALOX5
SCHEMBL25181143 0.74 PTGS2 (0.36) PTGS2PTGS1ALOX5
SCHEMBL7564517 0.72 PTGS2 (0.41) PTGS2PTGS1ALOX5
SCHEMBL2489432 0.72 AHR (0.38) PTGS2PTGS1ALOX5
SCHEMBL6153247 0.70 PTGS2 (0.55) PTGS2PTGS1ALOX5
SCHEMBL7564521 0.70 PTGS2 (0.34) PTGS2PTGS1ALOX5
SCHEMBL7565513 0.69 PTGS1 (0.39) PTGS2PTGS1ALOX5
SCHEMBL3478661 0.69 PTGS2 (0.34) PTGS2PTGS1ALOX5
SCHEMBL15726927 0.68 PTGS2 (0.57) PTGS2PTGS1ALOX5

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
EP-1228055-A1 DIHYDROAMINOBENZO[B]- AND [C]FURANS AS RETINOID-LIKE AGENTS Allergan Sales, Inc. (US) 2002-08-07 EP disclosed
WO-2001012618-A1 DIHYDROAMINOBENZO[B]- AND [C]FURANS AS RETINOID-LIKE AGENTS ALLERGAN SALES, INC. (US) 2001-02-22 WO disclosed
US-6093838-A FOR TREATING SKIN-RELATED DISEASES, INCLUDING ACTINIC KERATOSES, ARSENIC KERATOSES, ECZEMA ALLERGAN SALES, INC. (US) 2000-07-25 US disclosed
EP-0998472-A1 SUBSTITUTED 2-(BENZOARYL)PYRIDINES BASF AKTIENGESELLSCHAFT (DE) 2000-05-10 EP disclosed
WO-1999006394-A1 SUBSTITUTED 2-(BENZOARYL)PYRIDINES BASF AKTIENGESELLSCHAFT (DE) 1999-02-11 WO disclosed