SCHEMBL4360657

SCHEMBL4360657

CCCCCOc1ccc2[nH]c(C(=O)O)cc2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G4A P47712 1/20 0.68
KDM4E B2RXH2 2/20 0.62
ALDH1A1 P00352 2/20 0.62
CYP1A2 P05177 1/20 0.62
CYP2C9 P11712 1/20 0.62
HPGD P15428 1/20 0.62
SRD5A2 P31213 1/20 0.62
HSD17B10 Q99714 1/20 0.62
KMT2A Q03164 1/20 0.57
PDGFRB P09619 5/20 0.56
PDGFRA P16234 5/20 0.56
MAPT P10636 1/20 0.54
PIN1 Q13526 1/20 0.52
PLA2G2A P14555 1/20 0.51
TP53 P04637 1/20 0.51
TSHR P16473 1/20 0.51
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
CFD P00746 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
SCHEMBL4369016 0.97 PLA2G4A (0.67) PLA2G4AKDM4EALDH1A1CYP1A2CYP2C9
SCHEMBL1144832 0.92 KDM4E (0.65) PLA2G4AKDM4EALDH1A1CYP1A2CYP2C9
SCHEMBL6469163 0.92 KDM4E (0.60) PLA2G4AKDM4EALDH1A1CYP1A2CYP2C9
SCHEMBL13174431 0.86 KDM4E (0.62) PLA2G4AKDM4EALDH1A1CYP1A2CYP2C9
SCHEMBL2767179 0.86 KDM4E (0.65) PLA2G4AKDM4EALDH1A1CYP1A2CYP2C9
SCHEMBL24076666 0.86 PLA2G4A (0.55) PLA2G4AKDM4EALDH1A1CYP1A2CYP2C9
Anthranilamide SCHEMBL6469157 0.86 PLA2G4A (0.54) PLA2G4AKDM4EALDH1A1CYP1A2CYP2C9
SCHEMBL4371734 0.86 PDGFRB (0.71) PLA2G4AKDM4EALDH1A1CYP1A2CYP2C9
SCHEMBL4816031 0.85 KDM4E (0.64) PLA2G4AKDM4EALDH1A1CYP1A2CYP2C9
SCHEMBL3033147 0.85 KDM4E (0.67) PLA2G4AKDM4EALDH1A1CYP1A2CYP2C9

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
WO-2009063495-A2 SUBSTITUTED INDOLE AND ITS DERIVATIVES AS CANNABINOID MODULATORS CADILA HEALTHCARE LIMITED (IN) 2009-05-22 WO claimed
WO-2009063495-A2 SUBSTITUTED INDOLE AND ITS DERIVATIVES AS CANNABINOID MODULATORS CADILA HEALTHCARE LIMITED (IN) 2009-05-22 WO disclosed