SCHEMBL4199851

SCHEMBL4199851

CC[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.71

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 15/20 0.71
CYP3A4 P08684 1/20 0.61
LMNA P02545 2/20 0.59
MAPT P10636 2/20 0.59

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
SCHEMBL14027916 1.00 CYP19A1 (0.71) CYP19A1CYP3A4LMNAMAPT
SCHEMBL4199850 1.00 CYP19A1 (0.71) CYP19A1CYP3A4LMNAMAPT
Acetone SCHEMBL9504391 0.96 CYP19A1 (0.69) CYP19A1CYP3A4LMNAMAPT
SCHEMBL10882654 0.87 CYP19A1 (0.70) CYP19A1CYP3A4LMNAMAPT
SCHEMBL11365883 0.87 CYP19A1 (0.54) CYP19A1CYP3A4LMNAMAPT
SCHEMBL10895875 0.86 CYP19A1 (0.69) CYP19A1CYP3A4LMNAMAPT
SCHEMBL9015138 0.86 CYP19A1 (0.69) CYP19A1CYP3A4LMNAMAPT
SCHEMBL29904015 0.85 CYP19A1 (0.71) CYP19A1CYP3A4LMNAMAPT
SCHEMBL24101855 0.85 CYP19A1 (0.69) CYP19A1CYP3A4LMNAMAPT
SCHEMBL14046282 0.84 CYP19A1 (0.76) CYP19A1CYP3A4LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0034364-B1 NEW 20-SUBSTITUTED 3-OXO-PREGN-4-ENE STEROID COMPOUNDS AND PROCESS FOR THEIR PREPARATION HENKEL CORPORATION (a Delaware corp.) (US) 1984-11-07 EP claimed
EP-0057401-B1 AROMATIC HETEROCYCLIC ESTERS OF STEROIDS, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SCHERING CORPORATION (US) 1984-08-01 EP claimed
JP-1025793-A None JP disclosed
JP-4275297-A None JP disclosed
WO-2024186108-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING INFLAMMATION COMPRISING GLUCOCORTICOID COMPOUND 주식회사 에스씨엘테라퓨틱스 2024-09-12 WO disclosed
WO-2024167385-A1 NOVEL COMPOUND AND USES THEREOF 주식회사 에스씨엘테라퓨틱스 2024-08-15 WO disclosed
WO-2024167386-A1 NOVEL COMPOUND AND ANTICANCER USE THEREOF 주식회사 에스씨엘테라퓨틱스 2024-08-15 WO disclosed
US-20240102073-A1 GENETICALLY MODIFIED ORGANISMS FOR THE PRODUCTION OF STEROID DERIVATIVES SANDHILL ONE, LLC 2024-03-28 US disclosed
EP-2024383-A2 CRYSTALLINE FORMS OF 11 BETA-(4-ACETYLPHENYL)-20,20,21,21,21-PENTAFLUOR-17ALPHA- HYDROXY-19-NOR-17 -PREGNA-4,9-DIEN-3-ONE Bayer Schering Pharma Aktiengesellschaft (DE) 2009-02-18 EP disclosed
WO-2007140917-A2 CRYSTALLINE FORMS OF 11 ß-(4-ACETYLPHENYL)-20,20,21,21,21-PENTAFLUOR-17- HYDROXY-19-NOR-17α-PREGNA-4,9-DIEN-3-ONE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-12-13 WO disclosed
JP-H04275297-A NEW STEROID DERIVATIVE TEIKOKU SEIYAKU CO LTD 1992-09-30 JP disclosed
EP-0041612-A2 Process for the preparation of 20-Carbonylsteroids by degradation of steroid-C22-carboxylic acids Henkel Kommanditgesellschaft auf Aktien (DE) 1981-12-16 EP disclosed
EP-0039893-A2 Process for the degradation of the C20-carboxylic group of delta-4-BNC compounds optionally containing other double bonds, as well as C-21 steroids Henkel Kommanditgesellschaft auf Aktien (DE) 1981-11-18 EP disclosed
US-4255331-A 3-Acetoxy-9β-11β-epoxy-dienes and the preparation of the corresponding 6α-halogen-4-ene-3-ones PROCHEM ESTABLISHMENT (LI) 1981-03-10 US disclosed
US-4081538-A INCREASING SODIUM EXCRETION BY ADMINISTERING AN 11BETA, 18-OXIDOPREGNANE ULICK STANLEY 1978-03-28 US disclosed