SCHEMBL3357144

SCHEMBL3357144

C=C1C[C@H]2C(=CC1=O)CC[C@@H]1[C@@H]2CC[C@]2(C)CCC[C@@H]12

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 5/20 0.44
▸ SHBG P04278 2/20 0.40
▸ SERPINA6 P08185 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ SLC22A1 O15245 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ STS P08842 1/20 0.38
▸ MBOAT4 Q96T53 1/20 0.37
▸ LMNA P02545 2/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ TSHR P16473 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ HIF1A Q16665 1/20 0.37
▸ ABCB11 O95342 1/20 0.37

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
SCHEMBL9948599 0.82 CYP19A1 (0.41) CYP19A1SHBGSERPINA6ALDH1A1SLC22A1
SCHEMBL26425075 0.80 CYP19A1 (0.66) CYP19A1SHBGSERPINA6ALDH1A1SLC22A1
SCHEMBL922877 0.80 CYP19A1 (0.66) CYP19A1SHBGSERPINA6ALDH1A1SLC22A1
SCHEMBL13216466 0.80 CYP19A1 (0.66) CYP19A1SHBGSERPINA6ALDH1A1SLC22A1
SCHEMBL11977689 0.80 CYP19A1 (0.66) CYP19A1SHBGSERPINA6ALDH1A1SLC22A1
SCHEMBL19608861 0.80 CYP19A1 (0.66) CYP19A1SHBGSERPINA6ALDH1A1SLC22A1
SCHEMBL9948099 0.79 AR (0.43) CYP19A1STSMBOAT4
SCHEMBL9948891 0.79 AR (0.43) CYP19A1STSMBOAT4
SCHEMBL9948812 0.78 CYP19A1 (0.44) CYP19A1SHBGSERPINA6ALDH1A1SLC22A1
SCHEMBL4216441 0.78 SERPINA6 (0.36) CYP19A1SHBGSERPINA6ALDH1A1SLC22A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1042352-A4 ANDROGENIC STEROID COMPOUNDS AND A METHOD OF MAKING AND USING THE SAME RES TRIANGLE INST (US) 2004-12-22 — — EP claimed
EP-1042352-A1 ANDROGENIC STEROID COMPOUNDS AND A METHOD OF MAKING AND USING THE SAME RESEARCH TRIANGLE INSTITUTE (US) 2000-10-11 — — EP claimed
WO-1999026962-A1 ANDROGENIC STEROID COMPOUNDS AND A METHOD OF MAKING AND USING THE SAME RESEARCH TRIANGLE INSTITUTE (US) 1999-06-03 — — WO claimed
US-8207150-B2 17β-cyano-19-nor-androst-4-ene derivative, its use and medicaments comprising the derivative Bayer Pharma AG (DE) 2012-06-26 — — US disclosed
WO-2010066355-A1 USE OF 17β-CYANO-19-NOR-ANDROST-4-ENE DERIVATIVES FOR MANUFACTURING A MEDICAMENT IN A SUSTAINED-RELEASE FORM FOR PARENTERAL USE, AND SUSTAINED-RELEASE MEDICAMENT CONTAINING 17β-CYANO-19-NOR-ANDROST-4-ENE DERIVATIVES FOR PARENTERAL USE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-06-17 — — WO disclosed
EP-2170925-A2 17ß -CYANO-19-NOR-ANDROST-4-ENE DERIVATIVE, USE THEREOF AND MEDICAMENTS CONTAINING SAID DERIVATIVE Bayer Schering Pharma Aktiengesellschaft (DE) 2010-04-07 — — EP disclosed
WO-2008151746-A2 17β-CYANO-19-NOR-ANDROST-4-ENE DERIVATIVE, USE THEREOF AND MEDICAMENTS CONTAINING SAID DERIVATIVE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-12-18 — — WO disclosed
EP-1090029-A1 14,15-CYCLOPROPANOSTEROIDS OF THE 19-NORANDROSTANE SERIES, METHOD FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL PREPARATIONS CONTAINING SAID COMPOUNDS Jenapharm GmbH & Co. KG (DE) 2001-04-11 — — EP disclosed
WO-1999067276-A1 14,15-CYCLOPROPANOSTEROIDS OF THE 19-NORANDROSTANE SERIES, METHOD FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL PREPARATIONS CONTAINING SAID COMPOUNDS JENAPHARM GMBH & CO. KG (DE) 1999-12-29 — — WO disclosed
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