SCHEMBL27508658

SCHEMBL27508658

C=Cc1ccc(C)c(Cc2ccccc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C19 P33261 2/20 0.40
BCL2 P10415 1/20 0.40
BCL2L1 Q07817 1/20 0.40
TP53 P04637 1/20 0.40
ALDH1A1 P00352 1/20 0.39
LDHA P00338 2/20 0.38
LDHB P07195 2/20 0.38
CNR2 P34972 1/20 0.37
GPR55 Q9Y2T6 1/20 0.37
CALM1 P0DP23 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
ALOX5 P09917 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
MAPK1 P28482 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
SCHEMBL12117437 0.84 MAOA (0.46) TSHRCYP3A4CYP2D6CYP2C19BCL2
SCHEMBL4657571 0.81 BCL2 (0.39) TSHRTDP1BCL2BCL2L1TP53
SCHEMBL11174010 0.80 ALDH1A1 (0.43) TSHRALDH1A1CA1CA2
SCHEMBL9307175 0.79 MEN1 (0.57) TSHRCYP3A4BCL2BCL2L1ALDH1A1
SCHEMBL29675106 0.76 CALM1 (0.50) TSHRCYP3A4CYP2D6CYP2C19BCL2
SCHEMBL146770 0.76 CALM1 (0.50) TSHRCYP3A4CYP2D6CYP2C19BCL2
SCHEMBL2313482 0.76 TDP1 (0.42) TDP1TP53ALDH1A1ALOX5KMT2A
SCHEMBL1276089 0.76 CYP3A4 (0.57) TSHRCYP3A4CYP2D6CYP2C19BCL2
SCHEMBL8092285 0.75 BCL2 (0.54) TSHRCYP3A4CYP2D6CYP2C19BCL2
SCHEMBL28052138 0.74 PTGS1 (0.39) TDP1TP53ALDH1A1ALOX5SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1165629-C Electropolymerizable film, and method of making and use thereof ����ɽ�����������ݴ�ѧ 2004-09-08 CN disclosed
CN-1343260-A Electropolymerizable film, and method of making and use thereof UNIV NORTH CAROLINA CHAPEL HILL (US) 2002-04-03 CN disclosed