SCHEMBL6418495

SCHEMBL6418495

COC(=O)c1ccc2c(C(=O)OC)c[nH]c2c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 8/20 0.72
NPC1 O15118 1/20 0.68
CREBBP Q92793 1/20 0.64
KIF11 P52732 1/20 0.55
ASH1L Q9NR48 1/20 0.54
PARP1 P09874 1/20 0.51
RAB9A P51151 2/20 0.51
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
GLA P06280 1/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
HPGD P15428 1/20 0.50
CASP1 P29466 1/20 0.50
CASP7 P55210 1/20 0.50
ATM Q13315 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TUBB1 Q9H4B7 1/20 0.50
GPR84 Q9NQS5 1/20 0.50
EIF2AK2 P19525 1/20 0.50

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
SCHEMBL4780495 0.92 NPC1 (0.66) NR4A2NPC1CREBBPKIF11ASH1L
SCHEMBL30899481 0.92 NPC1 (0.66) NR4A2NPC1CREBBPKIF11ASH1L
SCHEMBL10397736 0.91 NR4A2 (0.68) NR4A2NPC1CREBBPKIF11ASH1L
SCHEMBL6418497 0.91 NR4A2 (0.68) NR4A2NPC1CREBBPKIF11ASH1L
SCHEMBL30697204 0.91 NPC1 (0.64) NR4A2NPC1CREBBPKIF11ASH1L
SCHEMBL2493105 0.91 NPC1 (0.64) NR4A2NPC1CREBBPKIF11ASH1L
SCHEMBL4164843 0.89 NPC1 (0.63) NR4A2NPC1CREBBPKIF11ASH1L
SCHEMBL6332786 0.88 NPC1 (0.61) NR4A2NPC1CREBBPKIF11ASH1L
SCHEMBL27365216 0.87 NR4A2 (0.72) NR4A2NPC1CREBBPRAB9AKDM4E
SCHEMBL23551205 0.87 NPC1 (0.60) NR4A2NPC1CREBBPKIF11ASH1L

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-20050178659-A1 Copolymer compound and electrochemical cell therewith NEC TOKIN CORPORATION (JP) 2005-08-18 US disclosed