SCHEMBL17502201

SCHEMBL17502201

[O]C(c1cccc2ccccc12)(c1cccc2ccccc12)c1cccc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
HSD17B10 Q99714 5/20 0.46
CYP2A6 P11509 3/20 0.46
TSHR P16473 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
ACP3 P15309 2/20 0.44
CYP1A2 P05177 4/20 0.42
HPGD P15428 3/20 0.42
CYP3A4 P08684 1/20 0.42
KEAP1 Q14145 1/20 0.42
HPRT1 P00492 1/20 0.42
NR4A1 P22736 1/20 0.41
NR4A2 P43354 1/20 0.41
NR4A3 Q92570 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40

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
SCHEMBL5881675 0.87 HSD17B10 (0.46) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL8376830 0.81 ACP3 (0.45) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL8376250 0.81 KDM4E (0.46) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL8377365 0.81 ALDH1A1 (0.44) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL27511411 0.79 ALDH1A1 (0.50) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL1538715 0.77 ALDH1A1 (0.48) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL8619414 0.76 ALDH1A1 (0.44) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL1538546 0.75 CYP2A6 (0.54) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL1561798 0.75 CYP1A2 (0.48) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL4818310 0.75 KIF11 (0.48) ALDH1A1HSD17B10CYP2A6TSHRTDP1

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
US-9260458-B2 Method of producing an organic silicon compound DOW CORNING CORPORATION (US) 2016-02-16 US disclosed