SCHEMBL5013877

SCHEMBL5013877

[CH2]C(c1cccc2ccccc12)(c1cccc2ccccc12)c1cccc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.46
HSD17B10 Q99714 5/20 0.46
CYP2A6 P11509 3/20 0.46
TSHR P16473 3/20 0.46
TDP1 Q9NUW8 1/20 0.46
CYP1A2 P05177 5/20 0.42
HPGD P15428 3/20 0.42
CYP3A4 P08684 2/20 0.42
KEAP1 Q14145 1/20 0.42
HPRT1 P00492 1/20 0.42
ACP3 P15309 2/20 0.41
HIF1A Q16665 1/20 0.39
CYP1B1 Q16678 1/20 0.39
THRB P10828 1/20 0.39
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NR4A1 P22736 1/20 0.37

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
SCHEMBL5010788 0.87 HSD17B10 (0.42) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL5011025 0.87 HSD17B10 (0.42) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL4770081 0.81 ALDH1A1 (0.44) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL17288573 0.81 KDM4E (0.42) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL17435207 0.81 CYP1A2 (0.44) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL27511411 0.79 ALDH1A1 (0.50) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL27559429 0.78 HSD17B10 (0.44) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL1538715 0.77 ALDH1A1 (0.48) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL547819 0.76 ALDH1A1 (0.44) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL29380144 0.76 ALDH1A1 (0.44) 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-20080207864-A1 Organosilanes, Process For Production of the Same, and Use Thereof SHARP KABUSHIKI KAISHA (JP) 2008-08-28 US disclosed