SCHEMBL7475337

SCHEMBL7475337

CC(=O)OC[C@@]12CCC[C@H]1[C@@H]1CC=C3CCCC[C@]3(C)[C@H]1CC2

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 16/20 0.55
CYP1B1 Q16678 1/20 0.50
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ALDH1A1 P00352 1/20 0.45
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL15798309 0.85 CYP19A1 (0.61) CYP19A1CYP3A4ALDH1A1
SCHEMBL9939642 0.83 CYP19A1 (0.60) CYP19A1CYP1B1CYP3A4
SCHEMBL1428474 0.82 CYP19A1 (0.66) CYP19A1CYP1B1CYP3A4CYP2C9CYP2C19
SCHEMBL4448216 0.82 CYP19A1 (0.61) CYP19A1CYP1B1CYP3A4
SCHEMBL30604051 0.81 CYP19A1 (0.53) CYP19A1CYP1B1CYP3A4CYP2C9CYP2C19
SCHEMBL30604053 0.81 CYP19A1 (0.53) CYP19A1CYP1B1CYP3A4CYP2C9CYP2C19
SCHEMBL5493317 0.81 CYP19A1 (0.60) CYP19A1CYP1B1CYP3A4
SCHEMBL15846851 0.78 CYP19A1 (0.49) CYP19A1CYP1B1CYP3A4CYP2C9CYP2C19
SCHEMBL30109409 0.78 CYP19A1 (0.54) CYP19A1CYP1B1CYP3A4CYP2C9CYP2C19
SCHEMBL29561383 0.78 CYP19A1 (0.56) CYP19A1CYP1B1CYP3A4

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-0637203-B1 REGULATION OF THE IMMUNE SYSTEM LORIA ROGER (US) 2002-08-21 EP disclosed
EP-1208842-A2 Regulation of the immune system LORIA, Roger (US) 2002-05-29 EP disclosed
US-5641768-A 5-androstene 3β, 17β diol for treatment LORIA, ROGER M. 1997-06-24 US disclosed
EP-0637203-A4 REGULATION OF THE IMMUNE SYSTEM. LORIA ROGER (US) 1996-02-28 EP disclosed
US-5461042-A Treatment with androstenediol or triol-type compounds to lessen the effects of chemotherapy and radiation LORIA, ROGER M. 1995-10-24 US disclosed
EP-0637203-A1 REGULATION OF THE IMMUNE SYSTEM LORIA, Roger (US) 1995-02-08 EP disclosed
US-5277907-A Lymphocyte proliferation-enhancing agent VIRGINIA COMMONWEALTH UNIVERSITY (US) 1994-01-11 US disclosed
WO-1993020696-A1 REGULATION OF THE IMMUNE SYSTEM LORIA ROGER (US) 1993-10-28 WO disclosed
US-5206008-A Using androstene(diol or triol) VIRGINIA COMMONWEALTH UNIVERSITY (US) 1993-04-27 US disclosed