SCHEMBL7678743

SCHEMBL7678743

COc1ccc2cc(C(=O)Oc3ccc(Cl)cn3)c(=O)oc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
MAOB P27338 7/20 0.57
ALDH1A1 P00352 5/20 0.57
HPGD P15428 4/20 0.57
KDM4E B2RXH2 4/20 0.57
GAA P10253 3/20 0.57
GLA P06280 2/20 0.57
CA12 O43570 1/20 0.57
CA2 P00918 1/20 0.57
CA3 P07451 1/20 0.57
CA4 P22748 1/20 0.57
CA6 P23280 1/20 0.57
CA7 P43166 1/20 0.57
CA9 Q16790 1/20 0.57
CA14 Q9ULX7 1/20 0.57
SLC16A3 O15427 1/20 0.57
MAOA P21397 4/20 0.57
F12 P00748 3/20 0.56
HSD17B10 Q99714 2/20 0.54

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
SCHEMBL7681924 0.78 POLB (0.63) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL6687148 0.78 MAOB (0.76) MAOBALDH1A1HPGDKDM4EGAA
SCHEMBL7680586 0.77 F2 (0.70) MEN1KMT2AMAOBCA12CA2
SCHEMBL11829416 0.75 ALDH1A1 (0.76) MEN1KMT2AMAOBALDH1A1HPGD
SCHEMBL7678609 0.75 MAOB (0.57) MEN1KMT2AMAOBALDH1A1KDM4E
SCHEMBL1366230 0.75 ALDH1A1 (0.81) MEN1KMT2AMAOBALDH1A1HPGD
SCHEMBL52650 0.75 ALDH1A1 (0.81) MEN1KMT2AMAOBALDH1A1HPGD
SCHEMBL18382590 0.75 MAOB (0.79) KMT2AMAOBALDH1A1HPGDKDM4E
SCHEMBL203997 0.74 SLC16A3 (1.00) KMT2AMAOBALDH1A1HPGDKDM4E
SCHEMBL1104931 0.74 ALDH1A1 (1.00) MEN1KMT2AMAOBALDH1A1HPGD

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