SCHEMBL5494151

SCHEMBL5494151

C[C@@]12CCC[C@H]1[C@@H]1CC=C3CC(O)(O)C=C[C@]3(C)[C@H]1CC2

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 8/20 0.48
MBOAT4 Q96T53 1/20 0.36
SHBG P04278 3/20 0.36
NR1I3 Q14994 1/20 0.35
CYP17A1 P05093 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
SCHEMBL5311339 0.80 CYP19A1 (0.41) CYP19A1MBOAT4SHBGNR1I3CYP17A1
SCHEMBL5310607 0.80 ALDH1A1 (0.41) CYP19A1SHBGNR1I3CYP17A1
SCHEMBL5309770 0.79 AR (0.32) CYP19A1SHBGCYP17A1
SCHEMBL5308811 0.79 CYP19A1 (0.47) CYP19A1MBOAT4SHBGNR1I3CYP17A1
SCHEMBL5310140 0.78 CYP19A1 (0.43) CYP19A1MBOAT4SHBGNR1I3
SCHEMBL7523457 0.78 CYP19A1 (0.52) CYP19A1MBOAT4SHBG
SCHEMBL4448019 0.77 SHBG (0.41) CYP19A1SHBGCYP17A1
SCHEMBL5574735 0.76 CYP19A1 (0.39) CYP19A1SHBG
SCHEMBL3996133 0.75 SHBG (0.44) CYP19A1SHBGCYP17A1
SCHEMBL6899628 0.75 GRIN1 (0.53)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1539183-A4 THERAPEUTIC TREATMENT METHODS HOLLIS EDEN PHARMACEUTICALS (US) 2007-04-25 EP claimed
EP-1539183-A1 THERAPEUTIC TREATMENT METHODS Hollis-Eden Pharmaceuticals Inc. (US) 2005-06-15 EP claimed
WO-2004019953-A1 THERAPEUTIC TREATMENT METHODS HOLLIS-EDEN PHARMACEUTICALS, INC. (US) 2004-03-11 WO claimed
EP-1807118-A2 STEROID ANALOGS AND CHARACTERIZATION AND TREATMENT METHODS Hollis-Eden Pharmaceuticals Inc. (US) 2007-07-18 EP disclosed
EP-1539183-A4 THERAPEUTIC TREATMENT METHODS HOLLIS EDEN PHARMACEUTICALS (US) 2007-04-25 EP disclosed
WO-2006110172-A2 STEROID ANALOGS AND CHARACTERIZATION AND TREATMENT METHODS HOLLIS-EDEN PHARMACEUTICALS.INC. (US) 2006-10-19 WO disclosed
EP-1539183-A1 THERAPEUTIC TREATMENT METHODS Hollis-Eden Pharmaceuticals Inc. (US) 2005-06-15 EP disclosed
WO-2004019953-A1 THERAPEUTIC TREATMENT METHODS HOLLIS-EDEN PHARMACEUTICALS, INC. (US) 2004-03-11 WO disclosed