SCHEMBL8738086

SCHEMBL8738086

COC(OC)c1cc2ccccc2c2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM4 Q8TD43 1/20 0.42
ALDH1A1 P00352 4/20 0.41
HSD17B10 Q99714 4/20 0.41
HIF1A Q16665 2/20 0.41
CYP1B1 Q16678 2/20 0.41
HPRT1 P00492 3/20 0.39
CYP2A6 P11509 2/20 0.37
TSHR P16473 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
CYP1A2 P05177 4/20 0.36
NQO1 P15559 1/20 0.36
HPGD P15428 2/20 0.36
GPR84 Q9NQS5 1/20 0.36
AOC3 Q16853 1/20 0.36
MAPT P10636 2/20 0.35
POLB P06746 1/20 0.35
PKM P14618 1/20 0.35
RAD52 P43351 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
ERBB2 P04626 1/20 0.34

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
SCHEMBL14063452 0.82 TRPM4 (0.41) TRPM4ALDH1A1HSD17B10HIF1ACYP1B1
SCHEMBL3087773 0.79 TRPM4 (0.38) TRPM4ALDH1A1HSD17B10HIF1ACYP1B1
SCHEMBL25059970 0.77 TRPM4 (0.46) TRPM4ALDH1A1HSD17B10HIF1ACYP1B1
SCHEMBL24359528 0.76 TRPM4 (0.38) TRPM4ALDH1A1HSD17B10HIF1ACYP1B1
SCHEMBL16406621 0.75 CYP1A2 (0.38) TRPM4ALDH1A1HSD17B10HIF1ACYP1B1
SCHEMBL4647163 0.75 ALDH1A1 (0.39) TRPM4ALDH1A1HSD17B10HIF1ACYP1B1
SCHEMBL30463192 0.75 ALDH1A1 (0.39) TRPM4ALDH1A1HSD17B10HIF1ACYP1B1
SCHEMBL31127390 0.75 ALDH1A1 (0.54) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL2524557 0.75 ALDH1A1 (0.54) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL28369704 0.74 NQO1 (0.44) ALDH1A1HSD17B10HIF1ACYP1B1CYP2A6

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
WO-2012065981-A1 COMPOUND OR MIXTURE OF PHOTOLUMINESCENT COMPOUNDS ENI S.P.A. (IT) 2012-05-24 WO disclosed