SCHEMBL7674633

SCHEMBL7674633

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

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 3/20 0.45
MAPT P10636 2/20 0.45
POLB P06746 2/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
HTT P42858 1/20 0.44
CACNA1B Q00975 1/20 0.44
APBA1 Q02410 1/20 0.44
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
F2 P00734 2/20 0.42
MAOB P27338 1/20 0.42
NPSR1 Q6W5P4 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
SCHEMBL7672610 0.83 MEN1 (0.48) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL7676670 0.82 HTT (0.58) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL7678613 0.82 MEN1 (0.57) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL7675600 0.81 F2 (0.53) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL18589316 0.80 F2 (0.57) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL7682058 0.78 KDM4E (0.71) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL7679148 0.78 F2 (0.69) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL7672606 0.78 F2 (0.50) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL16864729 0.77 F2 (0.57) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL7674628 0.77 F2 (0.51) MEN1KMT2AKDM4EALDH1A1MAPT

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