SCHEMBL7757073

SCHEMBL7757073

C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC(O)[C@@H]43)[C@@H]1CC/C2=C/CO

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 5/20 0.44
▸ SHBG P04278 4/20 0.39
▸ SERPINA6 P08185 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ SLC22A1 O15245 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ OR51E2 Q9H255 1/20 0.36
▸ PGR P06401 2/20 0.35
▸ LMNA P02545 2/20 0.34
▸ CYP3A4 P08684 2/20 0.34
▸ ABCB11 O95342 2/20 0.34
▸ TSHR P16473 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ ESR1 P03372 1/20 0.34
▸ NR3C1 P04150 1/20 0.34
▸ ADRA2A P08913 1/20 0.34
▸ SLC6A4 P31645 1/20 0.34

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
SCHEMBL6832271 0.83 CYP19A1 (0.63) CYP19A1SHBGSERPINA6ALDH1A1OR51E2
SCHEMBL8083229 0.83 CYP19A1 (0.63) CYP19A1SHBGSERPINA6ALDH1A1OR51E2
SCHEMBL11208177 0.75 CYP19A1 (0.47) CYP19A1SHBGSERPINA6ALDH1A1OR51E2
SCHEMBL11208172 0.75 CYP19A1 (0.47) CYP19A1SHBGSERPINA6ALDH1A1OR51E2
SCHEMBL11208173 0.75 CYP19A1 (0.47) CYP19A1SHBGSERPINA6ALDH1A1OR51E2
SCHEMBL3816340 0.75 SHBG (0.68) CYP19A1SHBGSERPINA6ALDH1A1SLC22A1
SCHEMBL11647165 0.75 SHBG (0.68) CYP19A1SHBGSERPINA6ALDH1A1SLC22A1
SCHEMBL4013302 0.75 CYP19A1 (0.44) CYP19A1SHBGSERPINA6ALDH1A1SLC22A1
SCHEMBL11515579 0.75 SHBG (0.68) CYP19A1SHBGSERPINA6ALDH1A1SLC22A1
SCHEMBL15515737 0.74 CYP19A1 (0.44) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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