SCHEMBL8713306

SCHEMBL8713306

Cc1cccc(CC(C)(C[C@H](N)O)c2cccc(Cl)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 7/20 0.40
PNMT P11086 2/20 0.39
SCN5A Q14524 3/20 0.35
SCN9A Q15858 3/20 0.35
PKM P14618 1/20 0.35
TAAR1 Q96RJ0 2/20 0.35
TSHR P16473 1/20 0.35
RECQL P46063 1/20 0.35
IDO1 P14902 2/20 0.34
CXCR4 P61073 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
SCHEMBL8717072 0.89 KIF11 (0.40) KIF11PNMTSCN5ASCN9APKM
SCHEMBL8713929 0.87 KIF11 (0.41) KIF11TAAR1IDO1
SCHEMBL8713335 0.84 TAAR1 (0.44) KIF11PNMTPKMTAAR1TSHR
SCHEMBL8713872 0.84 ESR1 (0.42) KIF11PNMTPKMTAAR1
SCHEMBL8716173 0.84 KIF11 (0.40) KIF11PNMTSCN5ASCN9APKM
SCHEMBL8714910 0.81 KIF11 (0.43) KIF11PNMTTAAR1
SCHEMBL8433905 0.81 MEN1 (0.39) KIF11RECQL
SCHEMBL8433303 0.81 MEN1 (0.39) KIF11RECQL
SCHEMBL8716720 0.81 CASR (0.49) KIF11
SCHEMBL8716625 0.80 KIF11 (0.38) KIF11PNMTSCN5ASCN9A

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-5811293-A CULTURE PRODUCT AS CHEMICAL INTERMEDIATE FOR ANTI-OBESITY AGENT DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1998-09-22 US disclosed