SCHEMBL3248903

SCHEMBL3248903

CCOC(=O)/C=C/c1ccc2[nH]c(=O)c3[nH]cc(C(=O)O)c3c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.45
DPP4 P27487 1/20 0.45
P2RY12 Q9H244 1/20 0.44
NPC1 O15118 1/20 0.44
CASP3 P42574 1/20 0.44
RAB9A P51151 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
MAOB P27338 1/20 0.42
CYP3A4 P08684 1/20 0.41
FDPS P14324 1/20 0.40
MAPT P10636 4/20 0.40
KDM4E B2RXH2 3/20 0.40

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
SCHEMBL3246027 1.00 TTR (0.45) TTRDPP4P2RY12NPC1CASP3
SCHEMBL3250273 0.92 TTR (0.45) TTRDPP4P2RY12NPC1CASP3
SCHEMBL3250274 0.92 TTR (0.45) TTRDPP4P2RY12NPC1CASP3
SCHEMBL4153013 0.85 TTR (0.42) TTRDPP4P2RY12NPC1CASP3
SCHEMBL3255449 0.84 TTR (0.43) TTRDPP4P2RY12NPC1CASP3
SCHEMBL3255436 0.82 GABRA1 (0.45) NPC1RAB9ACYP3A4MAPTKDM4E
SCHEMBL3255440 0.82 GABRA1 (0.45) NPC1RAB9ACYP3A4MAPTKDM4E
SCHEMBL3248495 0.81 BCHE (0.35) MAOBCYP3A4MAPTKDM4ELMNA
SCHEMBL3251013 0.81 GRIK1 (0.50) NPC1RAB9AKDM4EGRIK1GRIA1
SCHEMBL3251008 0.81 GRIK1 (0.50) NPC1RAB9AKDM4EGRIK1GRIA1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1899335-B1 PYRROLOQUINOLINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PF MEDICAMENT (FR) 2010-05-19 EP claimed
EP-1899335-B1 PYRROLOQUINOLINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PF MEDICAMENT (FR) 2010-05-19 EP disclosed