SCHEMBL5203283

SCHEMBL5203283

CCC1C(CC)[C@H]2[C@@H]3CCC4=CCCC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1CCC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 19/20 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
SCHEMBL4885697 0.85 CYP3A4 (0.52) CYP19A1
SCHEMBL1651377 0.79 CYP19A1 (0.64) CYP19A1
SCHEMBL3663524 0.79 CYP19A1 (0.64) CYP19A1
SCHEMBL8148335 0.78 CYP19A1 (0.53) CYP19A1
SCHEMBL5203276 0.76 CYP19A1 (0.51) CYP19A1
SCHEMBL3275157 0.76 CYP3A4 (0.55) CYP19A1
SCHEMBL29884701 0.73 CYP19A1 (0.64) CYP19A1
SCHEMBL25438891 0.72 EPHA2 (0.65) CYP19A1
SCHEMBL29886329 0.72 EPHA2 (0.65) CYP19A1
SCHEMBL4876813 0.71 CYP3A4 (0.52) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1817326-A1 INDUSTRIAL PROCESS FOR THE PREPERATION OF 17-HYDROXY -6 BETA, 7-BETA, 15-BETA, 16-BETA-BISMETHYLENE-3-OXO 17-ALPHA PREGN-4-ENE-21-CARBOXYLIC ACID GAMMA-LACTONE AND KEY INTERMEDIATES FOR THIS PROCESS Richter Gedeon Vegy Szeti Gy R Rt. (HU) 2007-08-15 EP disclosed
WO-2006059167-A1 INDUSTRIAL PROCESS FOR THE PREPARATION OF 17-HYDROXY-6β,7β;15β,16β-BISMETHYLENE-3-OXO-17α-PREGN-4-ENE-21-CARBOXYLIC ACID Ϝ-LACTONE AND KEY-INTERMEDIATES FOR THIS PROCESS Richter Gedeon Vegyészeti Gyár Rt. (HU) 2006-06-08 WO disclosed