SCHEMBL8999931

SCHEMBL8999931

CC(=O)C1=CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3=CC[C@]12C

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 16/20 0.67
CYP17A1 P05093 2/20 0.57
NR3C1 P04150 1/20 0.54

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
SCHEMBL9073294 0.89 CYP19A1 (0.63) CYP19A1CYP17A1NR3C1
SCHEMBL10708164 0.88 CYP19A1 (0.62) CYP19A1CYP17A1NR3C1
SCHEMBL8999936 0.86 NR3C1 (0.64) CYP19A1CYP17A1NR3C1
SCHEMBL2118371 0.86 NR3C1 (0.64) CYP19A1CYP17A1NR3C1
SCHEMBL8999961 0.83 CYP19A1 (0.45) CYP19A1CYP17A1NR3C1
SCHEMBL11332229 0.83 CYP19A1 (0.57) CYP19A1CYP17A1NR3C1
SCHEMBL10616333 0.83 CYP19A1 (0.45) CYP19A1CYP17A1NR3C1
SCHEMBL9356635 0.83 CYP19A1 (0.56) CYP19A1CYP17A1NR3C1
SCHEMBL9356884 0.83 CYP19A1 (0.56) CYP19A1CYP17A1NR3C1
SCHEMBL8668371 0.81 CYP19A1 (0.54) CYP19A1CYP17A1NR3C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1043426-C Pregna-4,9(11), 16-triene-3,20-dione derivs. preparing process ROUSSEL UCLAF (FR) 1999-05-19 CN disclosed
CN-1034867-C Process for preparing pregna-4, 9(11), 17(20) -trien-3-one derivatives ROUSSEL UCLAF (FR) 1997-05-14 CN disclosed
CN-1140177-A Pregna-4,9(11), 16-triene-3,20-dione derivs. preparing process ROUSSEL UCLAF (FR) 1997-01-15 CN disclosed
EP-0515264-B1 New steroid derivatives of pregna-4,9(11),17(20)-trien-3-on, their preparation, their use in the preparation of derivatives of pregna-4,9(11),16-trien-3,20-dione and intermediates therefor ROUSSEL UCLAF (FR) 1996-09-11 EP disclosed
EP-0515264-B1 New steroid derivatives of pregna-4,9(11),17(20)-trien-3-on, their preparation, their use in the preparation of derivatives of pregna-4,9(11),16-trien-3,20-dione and intermediates therefor ROUSSEL UCLAF (FR) 1996-09-11 EP disclosed
EP-0515264-A3 NEW STEROID DERIVATIVES OF PREGNA-4,9(11),17(20)-TRIEN-3-ON, THEIR PREPARATION, THEIR USE IN THE PREPARATION OF DERIVATIVES OF PREGNA-4,9(11),16-TRIEN-3,20-DIONE AND INTERMEDIATES THEREFOR 1993-01-13 EP disclosed
EP-0515264-A2 New steroid derivatives of pregna-4,9(11),17(20)-trien-3-on, their preparation, their use in the preparation of derivatives of pregna-4,9(11),16-trien-3,20-dione and intermediates therefor ROUSSEL UCLAF (FR) 1992-11-25 EP disclosed
EP-0515264-A2 New steroid derivatives of pregna-4,9(11),17(20)-trien-3-on, their preparation, their use in the preparation of derivatives of pregna-4,9(11),16-trien-3,20-dione and intermediates therefor ROUSSEL UCLAF (FR) 1992-11-25 EP disclosed
EP-0127217-B1 NEW PROCESS FOR THE PREPARATION OF 20-KETO-DELTA16-STEROIDS AND NEW INTERMEDIATE COMPOUNDS FORMED IN THIS PROCESS GIST-BROCADES N.V. (NL) 1988-11-02 EP disclosed
US-4551278-A Preparation of 20-keto-Δ16 -steroids GIST-BROCADES N.V. (NL) 1985-11-05 US disclosed
EP-0127217-A1 New process for the preparation of 20-keto-delta16-steroids and new intermediate compounds formed in this process GIST-BROCADES N.V. (NL) 1984-12-05 EP disclosed
EP-0023006-B1 PROCESS FOR THE PREPARATION OF UNSATURATED STEROIDS SCHERING AKTIENGESELLSCHAFT (DE) 1983-03-02 EP disclosed
US-4290963-A HEATING ONE OF THE PREGNANE SERIES SCHERING AKTIENGESELLSCHAFT (DE) 1981-09-22 US disclosed
EP-0023006-A1 Process for the preparation of unsaturated steroids SCHERING AKTIENGESELLSCHAFT (DE) 1981-01-28 EP disclosed