SCHEMBL9577946

SCHEMBL9577946

CO[C]1C=Cc2cc(OC)ccc2C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
DRD2 P14416 5/20 0.42
DRD3 P35462 5/20 0.42
DRD1 P21728 4/20 0.42
DRD5 P21918 4/20 0.42
METAP1 P53582 2/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
BCL2 P10415 1/20 0.41
GAA P10253 1/20 0.41
DRD4 P21917 2/20 0.38
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37

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
SCHEMBL31009571 0.80 CYP19A1 (0.41) CYP19A1CYP11B1CYP11B2DRD2DRD3
SCHEMBL1143146 0.80 METAP1 (0.47) CYP19A1CYP11B1CYP11B2DRD2DRD3
SCHEMBL28123540 0.77 CYP19A1 (0.40) CYP19A1CYP11B1CYP11B2DRD2DRD3
SCHEMBL5413199 0.75 PTGS2 (0.43) DRD2DRD3DRD1DRD5CA12
SCHEMBL326339 0.73 DRD2 (0.41) CYP19A1CYP11B1CYP11B2DRD2DRD3
SCHEMBL9207075 0.73 METAP1 (0.44) CYP19A1CYP11B1CYP11B2METAP1GAA
SCHEMBL3844075 0.73 METAP1 (0.44) CYP19A1CYP11B1CYP11B2DRD2DRD3
SCHEMBL8884488 0.71 CA2 (0.50) CA12CA1CA2CA7CA9
SCHEMBL1179742 0.70 CYP11B2 (0.49) CYP19A1CYP11B1CYP11B2DRD2DRD3
SCHEMBL28666103 0.70 CYP11B2 (0.49) CYP19A1CYP11B1CYP11B2DRD2DRD3

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-5266723-A Process for the preparation of optically active 2-aryl-alkanoic acids, especially 2-aryl-propionic acids MEDICE, LTD., CHEM.-PHARM. FABRIK PUTTER GMBH & CO. KG (DE) 1993-11-30 US claimed