SCHEMBL8940108

SCHEMBL8940108

C[C@]12CCC(=O)C=C1CC[C@@H]1C2=CC[C@]2(C)C(C#N)=CC[C@@H]12

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 17/20 0.67
NR3C1 P04150 1/20 0.49
CYP17A1 P05093 1/20 0.40

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
SCHEMBL8999931 0.80 CYP19A1 (0.67) CYP19A1NR3C1CYP17A1
SCHEMBL1421773 0.80 CYP19A1 (1.00) CYP19A1NR3C1
SCHEMBL14284877 0.80 CYP19A1 (1.00) CYP19A1NR3C1
SCHEMBL10625133 0.80 CYP19A1 (1.00) CYP19A1NR3C1
SCHEMBL8768647 0.79 CYP19A1 (0.40) CYP19A1NR3C1CYP17A1
SCHEMBL9073294 0.78 CYP19A1 (0.63) CYP19A1NR3C1CYP17A1
SCHEMBL10708164 0.77 CYP19A1 (0.62) CYP19A1NR3C1CYP17A1
SCHEMBL10625100 0.76 CYP19A1 (0.71) CYP19A1NR3C1CYP17A1
SCHEMBL8999928 0.76 CYP19A1 (0.74) CYP19A1NR3C1
SCHEMBL10625095 0.76 CYP19A1 (0.71) CYP19A1NR3C1CYP17A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5565588-A 9-alpha-hydroxy steroids, process for their preparation, process for the preparation of the corresponding 9(11)-dehydro derivatives and pharmaceutical preparations containing said steroids ROUSSEL UCLAF (FR) 1996-10-15 US disclosed
US-5352809-A 9-alpha-hydroxy steroids, process for their preparation, process for the preparation of the corresponding 9(11)-dehydro derivatives and pharmaceutical preparations containing such steroids GIST-BROCADES N.V. (NL) 1994-10-04 US disclosed
EP-0263569-B1 9-alpha-hydroxysteroids, process for their preparation and process for the preparation of the corresponding 9(11)-dehydro-derivatives. ROUSSEL-UCLAF (FR) 1992-12-09 EP disclosed
EP-0263569-A2 9-alpha-hydroxysteroids, process for their preparation and process for the preparation of the corresponding 9(11)-dehydro-derivatives. ROUSSEL-UCLAF (FR) 1988-04-13 EP disclosed