SCHEMBL27620182

SCHEMBL27620182

Cc1cc(C=Cc2ccccc2)ccc1Br

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.55
PTGS1 P23219 2/20 0.55
PTGS2 P35354 2/20 0.55
TTR P02766 1/20 0.55
RELA Q04206 2/20 0.48
ALDH1A1 P00352 2/20 0.48
CYP1A1 P04798 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP1B1 Q16678 1/20 0.47
KDM4E B2RXH2 2/20 0.44
HPGD P15428 1/20 0.44
NFE2L2 Q16236 3/20 0.44
CYP19A1 P11511 2/20 0.44
MAOA P21397 2/20 0.44
MAOB P27338 2/20 0.44
TRPA1 O75762 1/20 0.44
TUBB1 Q9H4B7 1/20 0.43
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL15907920 0.81 TTR (0.41) ALOX5PTGS1PTGS2TTRALDH1A1
SCHEMBL11213877 0.81 TTR (0.61) ALOX5PTGS1PTGS2TTRRELA
SCHEMBL16105805 0.81 TTR (0.61) ALOX5PTGS1PTGS2TTRRELA
SCHEMBL11000196 0.81 TTR (0.61) ALOX5PTGS1PTGS2TTRRELA
SCHEMBL29712858 0.81 TTR (0.61) ALOX5PTGS1PTGS2TTRRELA
SCHEMBL20047854 0.79 CYP3A4 (0.46) ALOX5PTGS1PTGS2ALDH1A1KDM4E
SCHEMBL20047856 0.79 CYP3A4 (0.46) ALOX5PTGS1PTGS2ALDH1A1KDM4E
SCHEMBL24028166 0.79 ALOX5 (0.64) ALOX5PTGS1PTGS2TTRRELA
SCHEMBL7820870 0.78 ALDH1A1 (0.39) ALOX5PTGS1PTGS2ALDH1A1CYP1A2
SCHEMBL919201 0.76 AKR1C3 (0.62) ALOX5PTGS1PTGS2TTRRELA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1748183-A Electrophotographic photoreceptor and charge-transporting material for electrophotographic photoreceptor TAKASAGO PERFUMERY CO LTD (JP) 2006-03-15 CN disclosed