SCHEMBL6679786

SCHEMBL6679786

CCCCCc1cccc(Cl)c1Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.44
ALOX5 P09917 1/20 0.44
PTGS2 P35354 1/20 0.44
GABRA1 P14867 1/20 0.42
GABRB2 P47870 1/20 0.42
BID P55957 3/20 0.41
MCL1 Q07820 3/20 0.41
PPARA Q07869 3/20 0.41
BCL2L1 Q07817 2/20 0.41
BAK1 Q16611 2/20 0.41
KAT8 Q9H7Z6 2/20 0.41
PPARG P37231 2/20 0.41
EP300 Q09472 1/20 0.41
KAT2A Q92830 1/20 0.41
KAT2B Q92831 1/20 0.41
KAT5 Q92993 1/20 0.41
SAE1 Q9UBE0 1/20 0.41
HTT P42858 1/20 0.41
KCNH2 Q12809 2/20 0.40
NR1H2 P55055 1/20 0.37

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
SCHEMBL22791947 0.94 GABRA1 (0.43) LIPGALOX5PTGS2GABRA1GABRB2
SCHEMBL28321854 0.86 GABRA1 (0.56) LIPGALOX5PTGS2GABRA1GABRB2
SCHEMBL31075131 0.84 LIPG (0.55) LIPGALOX5PTGS2GABRA1GABRB2
SCHEMBL3671514 0.81 LIPG (0.44) LIPGALOX5PTGS2GABRA1GABRB2
SCHEMBL6680624 0.81 TAAR1 (0.57) LIPGALOX5PTGS2BIDMCL1
SCHEMBL1374203 0.80 LIPG (0.55) LIPGALOX5PTGS2HTTKCNH2
SCHEMBL27574850 0.79 LIPG (0.50) LIPGALOX5PTGS2GABRA1GABRB2
SCHEMBL28006170 0.79 TAAR1 (0.55) LIPGALOX5PTGS2BIDMCL1
SCHEMBL28253265 0.79 TAAR1 (0.55) LIPGALOX5PTGS2BIDMCL1
SCHEMBL5701276 0.79 TAAR1 (0.55) LIPGALOX5PTGS2BIDMCL1

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
EP-0985649-B1 Method for producing an aromatic compound having an alkyl group with at least three carbon atoms TORAY INDUSTRIES (JP) 2004-11-24 EP disclosed
US-6462248-B1 THROUGH CONVERSION, ISOMERIZATION AND/OR ADSORPTIVE SEPARATION OF AROMATIC COMPOUNDS TORAY INDUSTRIES, INC. (JP) 2002-10-08 US disclosed
EP-0985649-A2 Method for producing an aromatic compound having an alkyl group with at least three carbon atoms TORAY INDUSTRIES, INC. (JP) 2000-03-15 EP disclosed