SCHEMBL13634747

SCHEMBL13634747

CCC1CCC[C@]2(C)C(=O)CCC12

nearest known ligand 0.53

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 20/20 0.53

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
SCHEMBL3859094 0.88 CYP19A1 (0.46) CYP19A1
SCHEMBL18814151 0.79 CYP19A1 (0.44) CYP19A1
SCHEMBL4816830 0.77 CYP19A1 (0.42) CYP19A1
SCHEMBL17299248 0.77 CYP19A1 (0.54) CYP19A1
SCHEMBL12883279 0.77 CYP19A1 (0.54) CYP19A1
SCHEMBL17340835 0.73 CYP19A1 (0.46) CYP19A1
SCHEMBL13407042 0.72 CYP19A1 (0.49) CYP19A1
SCHEMBL3858743 0.72 CYP19A1 (0.45) CYP19A1
SCHEMBL12322074 0.72 CYP19A1 (0.44) CYP19A1
SCHEMBL9947147 0.72 CYP19A1 (0.44) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1776378-B1 PROCESS FOR THE PREPARATION 2-SUBSTITUTED-DERIVATIVES OF ESTRONE AND ESTRADIOL ORGANON NV (NL) 2009-11-04 EP disclosed