SCHEMBL8713377

SCHEMBL8713377

CC(=O)NC(=O)c1ccc(CC(C)(C[C@H](N)O)c2cccc(Cl)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.39
HDAC1 Q13547 4/20 0.37
KMT2A Q03164 2/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
USP36 Q9P275 1/20 0.34
EPHX2 P34913 1/20 0.33
PKM P14618 1/20 0.33

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
SCHEMBL8714176 0.88 MAOB (0.43) KIF11KMT2ANPC1RAB9AMEN1
SCHEMBL8719238 0.87 TPH1 (0.39) KIF11HDAC1NPC1LMNARAB9A
SCHEMBL8713560 0.86 KIF11 (0.42) KIF11NPC1LMNARAB9ACYP1A2
SCHEMBL8714644 0.86 KIF11 (0.44) KIF11PKM
SCHEMBL8713771 0.85 ADRB2 (0.45) KIF11KMT2ANPC1RAB9AMEN1
SCHEMBL8713274 0.85 RAB9A (0.50) KIF11KMT2ANPC1LMNARAB9A
SCHEMBL8714279 0.83 KIF11 (0.40) KIF11CYP1A2CYP2C19EPHX2PKM
SCHEMBL8713872 0.81 ESR1 (0.42) KIF11PKM
SCHEMBL8716173 0.81 KIF11 (0.40) KIF11CYP1A2CYP2C19PKM
SCHEMBL8717072 0.81 KIF11 (0.40) KIF11KMT2ANPSR1MEN1CYP1A2

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