SCHEMBL1461173

SCHEMBL1461173

O=C(O)OC1=CC2CCC1C2

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.54
AKR1C3 P42330 1/20 0.31
AKR1C1 Q04828 1/20 0.31

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
SCHEMBL4966393 1.00 CYP19A1 (0.54) CYP19A1AKR1C3AKR1C1
SCHEMBL4966639 1.00 CYP19A1 (0.54) CYP19A1AKR1C3AKR1C1
SCHEMBL4966164 1.00 CYP19A1 (0.54) CYP19A1AKR1C3AKR1C1
SCHEMBL1090239 0.83 CYP19A1 (0.52) CYP19A1
SCHEMBL4982703 0.80 CYP19A1 (0.50) CYP19A1
SCHEMBL5715344 0.79 CYP19A1 (0.59) CYP19A1
SCHEMBL1007172 0.79 CYP19A1 (0.52) CYP19A1
SCHEMBL7561100 0.79 CYP19A1 (0.49) CYP19A1
SCHEMBL2951880 0.79 CYP19A1 (0.49) CYP19A1
SCHEMBL2739908 0.78 CYP19A1 (0.48) CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1966381-A2 METHOD FOR THE ENZYMATIC PRODUCTION OF 5-NORBORNEN-2-CARBOXYLIC ACID BASF SE (DE) 2008-09-10 EP claimed
WO-2007071578-A2 METHOD FOR PRODUCING 5-NORBORNEN-2-CARBOXYLIC ACID FROM 5-NORBORNEN-2-CARBONITRILE USING AN ARYLACETONITRILASE BASF SE (DE) 2007-06-28 WO claimed
EP-2470008-A2 USE OF CYCLOALIPHATIC DIOLS AS BIOCIDES BASF SE (DE) 2012-07-04 EP disclosed
WO-2011023540-A2 USE OF CYCLOALIPHATIC DIOLS AS BIOCIDES BASF SE (DE) 2011-03-03 WO disclosed
EP-1190244-B1 METHOD OF PRODUCING MONOLITHIC SUPPORT MATERIALS BUCHMEISER MICHAEL RUDOLF (AT) 2003-02-26 EP disclosed