SCHEMBL9979466

SCHEMBL9979466

COC(=O)c1cccc2c1CN(c1ccc(OC(F)(F)F)cc1)C2=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UGCG Q16739 3/20 0.44
NPC1 O15118 1/20 0.43
PKM P14618 1/20 0.43
RAB9A P51151 1/20 0.43
POLB P06746 6/20 0.43
TDP1 Q9NUW8 3/20 0.43
KDM4E B2RXH2 1/20 0.43
ESR1 P03372 1/20 0.43
NR4A1 P22736 1/20 0.43
APEX1 P27695 1/20 0.43
PTPN7 P35236 1/20 0.43
RECQL P46063 1/20 0.43
BLM P54132 1/20 0.43
MCL1 Q07820 1/20 0.43
ESR2 Q92731 1/20 0.43
HSD17B10 Q99714 1/20 0.43
THRB P10828 1/20 0.42
MAPT P10636 2/20 0.41
TP53 P04637 1/20 0.41
LIPE Q05469 4/20 0.41

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
SCHEMBL9979596 0.88 KDM4E (0.47) UGCGNPC1PKMRAB9APOLB
SCHEMBL9979627 0.87 UGCG (0.45) UGCGNPC1PKMRAB9APOLB
SCHEMBL9979478 0.84 NPC1 (0.51) UGCGNPC1PKMRAB9APOLB
SCHEMBL9979481 0.83 SLC6A3 (0.49) UGCGNPC1PKMRAB9APOLB
SCHEMBL9979630 0.83 SLC6A4 (0.50) UGCGNPC1PKMRAB9APOLB
SCHEMBL9979597 0.82 UGCG (0.43) UGCGNPC1PKMRAB9ATHRB
SCHEMBL9979659 0.80 UGCG (0.43) UGCGNPC1PKMRAB9APOLB
SCHEMBL9979552 0.79 UGCG (0.41) UGCGNPC1PKMRAB9ATHRB
SCHEMBL9979474 0.77 UGCG (0.41) UGCGNPC1PKMRAB9ATHRB
SCHEMBL28623206 0.74 NPC1 (0.68) NPC1PKMRAB9AKDM4ETHRB

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
WO-2012081570-A1 LACTAM COMPOUND OR A SALT THEREOF, AND PPAR ACTIVATOR あすか製薬株式会社 (JP) 2012-06-21 WO disclosed