SCHEMBL3860885

SCHEMBL3860885

COc1ccc2c(c1)C(=O)CC2.COc1ccc2c(c1)CCC2=O.Cc1ccc2c(c1)CCC2=O

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.50
MAOB P27338 3/20 0.47
MAOA P21397 2/20 0.47
METAP1 P53582 2/20 0.47
CYP19A1 P11511 1/20 0.45

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
SCHEMBL6130607 0.93 MAPK14 (0.56) MAPK14MAOBMETAP1CYP19A1
SCHEMBL251842 0.86 MAOB (0.54) MAPK14MAOBMETAP1CYP19A1
SCHEMBL268592 0.86 KDM4E (0.56) MAOBMETAP1CYP19A1
SCHEMBL29392039 0.86 MAOB (0.54) MAPK14MAOBMETAP1CYP19A1
SCHEMBL7491470 0.85 MAPK14 (0.56) MAPK14METAP1CYP19A1
Water SCHEMBL28454486 0.85 KDM4E (0.54) MAOBMETAP1CYP19A1
SCHEMBL15869785 0.83 MPO (0.51) METAP1CYP19A1
SCHEMBL29726014 0.81 CASP1 (0.59) MAOBMAOAMETAP1
SCHEMBL423287 0.81 CASP1 (0.59) MAOBMAOAMETAP1
SCHEMBL27632859 0.81 CASP1 (0.59) MAOBMAOAMETAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1435962-A4 TREATMENT OF TYPE I DIABETES CELL PATHWAYS INC (US) 2009-04-15 EP disclosed
EP-1435961-A4 TREATMENT FOR LUPUS ERYTHEMATOSUS CELL PATHWAYS INC (US) 2005-04-20 EP disclosed
EP-1435962-A2 TREATMENT OF TYPE I DIABETES Cell Pathways, Inc. (US) 2004-07-14 EP disclosed
EP-1435961-A2 TREATMENT FOR LUPUS ERYTHEMATOSUS Cell Pathways, Inc. (US) 2004-07-14 EP disclosed
WO-2003017926-A2 TREATMENT FOR LUPUS ERYTHEMATOSUS CELL PATHWAYS, INC. (US) 2003-03-06 WO disclosed
WO-2003017925-A2 TREATMENT OF TYPE I DIABETES CELL PATHWAYS, INC. (US) 2003-03-06 WO disclosed
WO-2002067936-A1 METHODS FOR TREATMENT OF INFLAMMATORY BOWEL DISEASE CELL PATHWAYS, INC. (US) 2002-09-06 WO disclosed