SCHEMBL15326993

SCHEMBL15326993

CCc1ccccc1-c1ccc(O)c(C)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.49
MCL1 Q07820 1/20 0.47
TRPA1 O75762 1/20 0.47
HSD17B1 P14061 5/20 0.46
HSD17B2 P37059 5/20 0.46
APP P05067 1/20 0.46
ESR1 P03372 6/20 0.45
ESR2 Q92731 4/20 0.45
AR P10275 2/20 0.43
PIM1 P11309 1/20 0.42
SHBG P04278 1/20 0.41
ALOX5AP P20292 1/20 0.41
FEN1 P39748 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 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
SCHEMBL3558975 0.86 HSD17B1 (0.53) MCL1TRPA1HSD17B1HSD17B2APP
SCHEMBL28149290 0.86 APP (0.64) MCL1TRPA1HSD17B1APPALOX5AP
SCHEMBL2030094 0.85 TLR8 (0.49) TLR8MCL1HSD17B1HSD17B2APP
SCHEMBL27867853 0.85 DPP4 (0.52) TLR8MCL1HSD17B1HSD17B2APP
SCHEMBL10604910 0.84 TRPA1 (0.50) TRPA1ALOX5APFEN1
SCHEMBL17725805 0.81 APP (0.61) TLR8MCL1HSD17B1HSD17B2APP
SCHEMBL11037218 0.80 MCL1 (0.64) TLR8MCL1TRPA1HSD17B1HSD17B2
SCHEMBL22381413 0.80 TLR8 (0.56) TLR8MCL1HSD17B1HSD17B2APP
SCHEMBL30158721 0.80 MCL1 (0.64) TLR8MCL1TRPA1HSD17B1HSD17B2
SCHEMBL27182940 0.79 ALOX5 (0.52) ARCYP3A4CYP2D6CYP2C19

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
EP-2653500-B1 FLAME-RETARDANT POLYCARBONATE RESIN COMPOSITION, FLAME RETARDANT FOR POLYCARBONATE RESIN, AND METHOD FOR PRODUCING SAME. MITSUBISHI ENGINEERING-PLASTICS CORP (JP) 2017-05-31 EP disclosed
EP-2653500-A1 FLAME-RETARDANT POLYCARBONATE RESIN COMPOSITION, FLAME RETARDANT FOR POLYCARBONATE RESIN, AND METHOD FOR PRODUCING SAME. Mitsubishi Engineering-Plastics Corporation (JP) 2013-10-23 EP disclosed