SCHEMBL9754292

SCHEMBL9754292

CCC(c1ccc(CC(C)C)cc1)c1nc(O)c(-c2ccc(OC)cc2)s1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.49
CYP17A1 P05093 1/20 0.43
ALOX5AP P20292 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37
BACE1 P56817 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
LDHA P00338 1/20 0.36
PTPN1 P18031 1/20 0.36
PKM P14618 1/20 0.36
PPARG P37231 1/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36
FFAR1 O14842 1/20 0.36
PTGS2 P35354 1/20 0.36

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
SCHEMBL9754195 0.88 ALOX5 (0.46) ALOX5CYP17A1ALOX5APPTGDR2PTGS2
SCHEMBL9754025 0.88 ALOX5 (0.43) ALOX5PTGDR2PTGS2
SCHEMBL9803529 0.86 ALOX5 (0.43) ALOX5PTGDR2PTGS2
SCHEMBL9754095 0.85 LMNA (0.43) ALOX5PTGDR2CYP1A2CYP2C19PTGS2
SCHEMBL9803803 0.79 COPS5 (0.46) ALOX5APCYP1A2PTGS2
SCHEMBL9754341 0.77 FBP1 (0.35) ALOX5FFAR1PTGS2
SCHEMBL9803532 0.77 LMNA (0.35) ALOX5FFAR1PTGS2
SCHEMBL9754000 0.76 ALOX5 (0.46) ALOX5ALOX5APPTGS2
SCHEMBL9803536 0.75 PTGS1 (0.33) ALOX5CYP17A1ALOX5APPTGS2
SCHEMBL9803773 0.75 PTGS1 (0.38) ALOX5PTGDR2PPARGPPARAPTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1991008744-A1 THIAZOLE LIPOXYGENASE-INHIBITING COMPOUNDS DERIVED FROM NON-STEROIDAL ANTIINFLAMMATORY CARBOXYLIC ACIDS ABBOTT LABORATORIES (US) 1991-06-27 WO claimed
US-5032588-A Non-steroidal antiinflammatory ABBOTT LABORATORIES (US) 1991-07-16 US disclosed
WO-1991008744-A1 THIAZOLE LIPOXYGENASE-INHIBITING COMPOUNDS DERIVED FROM NON-STEROIDAL ANTIINFLAMMATORY CARBOXYLIC ACIDS ABBOTT LABORATORIES (US) 1991-06-27 WO disclosed