SCHEMBL8052201

SCHEMBL8052201

Br[Sn](Br)(Br)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 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
HPGD P15428 3/20 0.42
CYP3A4 P08684 2/20 0.42
KEAP1 Q14145 1/20 0.42
HPRT1 P00492 1/20 0.42
HIF1A Q16665 1/20 0.39
CYP1B1 Q16678 1/20 0.39
THRB P10828 1/20 0.39
NR4A1 P22736 1/20 0.37
NR4A2 P43354 1/20 0.37
NR4A3 Q92570 1/20 0.37
POLB P06746 1/20 0.37
PTPN1 P18031 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
SCHEMBL15529474 0.85 ALDH1A1 (0.46) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL8056313 0.75 ALDH1A1 (0.46) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL11805218 0.75 ALDH1A1 (0.46) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL8056327 0.75 CYP1A2 (0.48) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL5952012 0.75 ALDH1A1 (0.48) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL11761232 0.75 CYP1A2 (0.48) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL10916663 0.75 CYP1A2 (0.48) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL1029428 0.73 ALDH1A1 (0.43) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL11755176 0.65 ALDH1A1 (0.53) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL69629 0.65 ALDH1A1 (0.53) 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-6114496-A Biodegradable resin composition and preparation process thereof NISHIKAWA RUBBER CO., LTD. (JP) 2000-09-05 US disclosed