SCHEMBL7675941

SCHEMBL7675941

Cc1ccc2oc(=O)c(C(=O)Oc3cc(Cl)ccc3Cl)cc2c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.74
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
MAOB P27338 7/20 0.57
F12 P00748 6/20 0.57
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
CA4 P22748 1/20 0.55
CA6 P23280 1/20 0.55
CA5A P35218 1/20 0.55
CA7 P43166 1/20 0.55
CA9 Q16790 1/20 0.55
CA14 Q9ULX7 1/20 0.55
CA5B Q9Y2D0 1/20 0.55
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
GPR35 Q9HC97 1/20 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
SCHEMBL7691959 0.85 F2 (1.00) F2MEN1KMT2AMAOBF12
SCHEMBL7682475 0.84 F2 (0.71) F2MEN1KMT2AMAOBCA12
SCHEMBL7678753 0.84 F2 (0.77) F2MEN1KMT2AMAOBCA12
SCHEMBL18752550 0.83 F2 (0.63) F2MEN1KMT2AMAOBF12
SCHEMBL7682577 0.81 MEN1 (0.63) F2MEN1KMT2AMAOBF12
SCHEMBL13857249 0.80 MAOB (0.69) MEN1KMT2AMAOBF12CA12
SCHEMBL7682593 0.79 MAOB (0.55) F2MEN1KMT2AMAOBF12
SCHEMBL7678613 0.77 MEN1 (0.57) F2MEN1KMT2AMAOBF12
SCHEMBL18589240 0.77 MAOB (0.70) MAOBF12CA12CA1CA2
SCHEMBL18752204 0.76 F2 (0.67) F2MEN1KMT2AMAOBCA12

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