SCHEMBL8714644

SCHEMBL8714644

CC(Cc1ccc(C(=O)O)cc1)(C[C@H](N)O)c1cccc(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 6/20 0.44
RXRA P19793 4/20 0.43
RXRB P28702 4/20 0.43
RXRG P48443 3/20 0.43
ADRB3 P13945 7/20 0.42
ADRB1 P08588 6/20 0.42
ADRB2 P07550 1/20 0.38
PKM P14618 1/20 0.38
PTGER4 P35408 2/20 0.37
PTGER2 P43116 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
SCHEMBL8713560 0.91 KIF11 (0.42) KIF11PKM
SCHEMBL8714176 0.91 MAOB (0.43) KIF11PKM
SCHEMBL8714279 0.88 KIF11 (0.40) KIF11PKM
SCHEMBL8719185 0.86 KIF11 (0.43) KIF11RXRARXRBRXRG
SCHEMBL8713377 0.86 KIF11 (0.39) KIF11PKM
SCHEMBL8714910 0.86 KIF11 (0.43) KIF11
SCHEMBL8717072 0.85 KIF11 (0.40) KIF11PKM
SCHEMBL8713872 0.85 ESR1 (0.42) KIF11PKM
SCHEMBL8716173 0.85 KIF11 (0.40) KIF11ADRB1PKM
SCHEMBL8713274 0.85 RAB9A (0.50) KIF11PTGER4PTGER2

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