SCHEMBL4708929

SCHEMBL4708929

O=C(COc1cc2oc(=O)c3c(c2cc1Cl)CCCC3)N1CCCCC1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FHIT P49789 2/20 0.69
NPC1 O15118 2/20 0.64
RAB9A P51151 2/20 0.64
KDM4E B2RXH2 5/20 0.60
ALDH1A1 P00352 5/20 0.60
GAA P10253 4/20 0.57
HSD17B10 Q99714 3/20 0.57
GLA P06280 3/20 0.57
KMT2A Q03164 3/20 0.57
MAPT P10636 2/20 0.57
CASP1 P29466 2/20 0.57
MEN1 O00255 2/20 0.57
LMNA P02545 1/20 0.57
CASP7 P55210 1/20 0.57
RXFP1 Q9HBX9 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
POLB P06746 2/20 0.54
HPGD P15428 4/20 0.53
TSHR P16473 2/20 0.52

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
SCHEMBL4710927 0.99 FHIT (0.70) FHITNPC1RAB9AKDM4EALDH1A1
SCHEMBL4710697 0.83 FHIT (0.76) FHITNPC1RAB9AKDM4EALDH1A1
SCHEMBL4708976 0.81 KDM4E (0.70) FHITNPC1RAB9AKDM4EALDH1A1
SCHEMBL4710609 0.80 FHIT (0.71) FHITNPC1RAB9AKDM4EALDH1A1
SCHEMBL4711017 0.78 KDM4E (0.95) FHITNPC1RAB9AKDM4EALDH1A1
SCHEMBL20246700 0.77 FHIT (0.70) FHITNPC1RAB9AKDM4EALDH1A1
SCHEMBL4709622 0.77 KDM4E (0.67) FHITNPC1RAB9AKDM4EALDH1A1
SCHEMBL4712030 0.76 KDM4E (0.77) FHITKDM4EALDH1A1GAAHSD17B10
SCHEMBL4711880 0.76 KDM4E (0.95) FHITKDM4EALDH1A1GAAHSD17B10
SCHEMBL4709413 0.75 KDM4E (0.68) FHITNPC1RAB9AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1957475-A1 CHROMENONES AND THEIR USE AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Merz Pharma GmbH & Co.KGaA (DE) 2008-08-20 EP disclosed
WO-2007045876-A1 CHROMENONES AND THEIR USE AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS MERZ PHARMA GMBH & CO. KGAA (DE) 2007-04-26 WO disclosed
WO-2007045876-A1 CHROMENONES AND THEIR USE AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS MERZ PHARMA GMBH & CO. KGAA (DE) 2007-04-26 WO disclosed