SCHEMBL7674631

SCHEMBL7674631

CCC(=O)OC(OC(=O)CC)c1ccc2oc(=O)c(C(=O)Oc3cncc(Cl)c3)cc2c1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
F2 P00734 5/20 0.43
MAOB P27338 1/20 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
SCHEMBL18589316 0.83 F2 (0.57) MEN1KMT2AKDM4EALDH1A1POLB
SCHEMBL7678638 0.83 F2 (0.51) MEN1KMT2AKDM4EALDH1A1POLB
SCHEMBL7672610 0.82 MEN1 (0.48) MEN1KMT2AKDM4EALDH1A1POLB
SCHEMBL7678613 0.80 MEN1 (0.57) MEN1KMT2AKDM4EALDH1A1POLB
SCHEMBL7679148 0.79 F2 (0.69) MEN1KMT2AKDM4EALDH1A1POLB
SCHEMBL7676670 0.78 HTT (0.58) MEN1KMT2AKDM4EALDH1A1POLB
SCHEMBL8210799 0.78 CA12 (0.54) KDM4EALDH1A1HPGDHSD17B10MAOB
SCHEMBL16864729 0.78 F2 (0.57) MEN1KMT2AKDM4EALDH1A1POLB
SCHEMBL7681934 0.78 F2 (0.49) MEN1KMT2AKDM4EALDH1A1POLB
SCHEMBL18607766 0.78 F2 (0.49) MEN1KMT2AKDM4EALDH1A1POLB

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-6355658-B1 COUMARIN ESTERS WITH ETHER GROUPS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2002-03-12 US disclosed