SCHEMBL3356889

SCHEMBL3356889

C[C@@]12CCC[C@H]1[C@@H]1CCC3=CC(=O)C(C4CC4)C[C@@H]3[C@H]1CC2

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 7/20 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
▸ GRIN1 Q05586 1/20 0.40
▸ GRIN2B Q13224 1/20 0.40
▸ 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

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
SCHEMBL9948623 0.86 CYP19A1 (0.44) CYP19A1SHBGSERPINA6ALDH1A1SLC22A1
SCHEMBL4945163 0.85 SHBG (0.48) CYP19A1SHBGSERPINA6ALDH1A1SLC22A1
SCHEMBL6301569 0.85 CYP19A1 (0.44) CYP19A1SHBGSERPINA6ALDH1A1SLC22A1
SCHEMBL9947828 0.83 CYP19A1 (0.42) CYP19A1SHBGSERPINA6ALDH1A1SLC22A1
SCHEMBL8370954 0.82 CYP19A1 (0.41) CYP19A1SHBGSERPINA6ALDH1A1SLC22A1
SCHEMBL9948721 0.82 CYP19A1 (0.41) CYP19A1SHBGSERPINA6ALDH1A1SLC22A1
SCHEMBL6244893 0.82 SERPINA6 (0.41) CYP19A1SHBGSERPINA6ALDH1A1SLC22A1
SCHEMBL10449145 0.80 CYP19A1 (0.39) CYP19A1SHBGSERPINA6ALDH1A1SLC22A1
SCHEMBL11977689 0.80 CYP19A1 (0.66) CYP19A1SHBGSERPINA6ALDH1A1SLC22A1
SCHEMBL922877 0.80 CYP19A1 (0.66) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2170925-B1 17ß -CYANO-19-NOR-ANDROST-4-ENE DERIVATIVE, USE THEREOF AND MEDICAMENTS CONTAINING SAID DERIVATIVE BAYER IP GMBH (DE) 2012-10-24 — — EP disclosed
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
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