SCHEMBL13769008

SCHEMBL13769008

Cc1ccc2cc(-c3cc4ccc(C)cc4oc3=O)c(=O)oc2c1

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOB P27338 15/20 0.65
MIF P14174 1/20 0.61
ADORA3 P0DMS8 1/20 0.59
CYP19A1 P11511 1/20 0.56
MAOA P21397 3/20 0.55
PON1 P27169 1/20 0.54
ALDH1A1 P00352 1/20 0.53
ESR2 Q92731 1/20 0.50

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
SCHEMBL10024076 0.89 MIF (0.77) MAOBMIFADORA3MAOAPON1
SCHEMBL12611177 0.88 MAOB (0.57) MAOBMIFADORA3MAOA
SCHEMBL12304339 0.86 MAOB (0.77) MAOBMIFADORA3MAOAPON1
SCHEMBL7119199 0.84 MAOB (0.56) MAOBMIFADORA3CYP19A1MAOA
SCHEMBL890223 0.84 HSD17B3 (0.68) MAOBMIFADORA3PON1ALDH1A1
SCHEMBL16520509 0.84 MIF (0.83) MAOBMIFADORA3MAOAPON1
SCHEMBL15704421 0.84 MIF (0.65) MAOBMIFADORA3MAOAPON1
SCHEMBL21524281 0.82 MAOB (0.51) MAOBMIFADORA3CYP19A1MAOA
SCHEMBL19832052 0.81 MAOB (0.80) MAOBMIFMAOAALDH1A1
SCHEMBL12611325 0.81 MIF (0.62) MAOBMIFADORA3MAOAPON1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1709699-B1 CONJUGATED POLYMERS, REPRESENTATION THEREOF, AND USE OF THE SAME MERCK PATENT GMBH (DE) 2009-07-01 EP disclosed
US-20070123690-A1 Conjugated polymers, representation thereof, and use of the same MERCK PATENT GMBH (DE) 2007-05-31 US disclosed