SCHEMBL5493314

SCHEMBL5493314

C[C@]12CCCCC1=CC[C@@H]1[C@H]2CC[C@]2(C)C(F)CC[C@@H]12

nearest known ligand 0.73

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 11/20 0.73
CYP1B1 Q16678 1/20 0.62
ESR1 P03372 1/20 0.50
SHBG P04278 1/20 0.50
SERPINA6 P08185 1/20 0.50
AR P10275 1/20 0.50
ESR2 Q92731 1/20 0.50
CYP17A1 P05093 5/20 0.48
SRD5A2 P31213 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL9938719 0.85 CYP19A1 (0.74) CYP19A1CYP1B1ESR1SHBGSERPINA6
SCHEMBL5479309 0.85 CYP19A1 (0.74) CYP19A1CYP1B1ESR1SHBGSERPINA6
SCHEMBL4448213 0.85 CYP19A1 (0.74) CYP19A1CYP1B1ESR1SHBGSERPINA6
SCHEMBL1418753 0.84 CYP19A1 (0.73) CYP19A1CYP1B1ESR1SHBGSERPINA6
SCHEMBL5574098 0.84 CYP19A1 (0.73) CYP19A1CYP1B1ESR1SHBGSERPINA6
SCHEMBL5311348 0.84 CYP19A1 (1.00) CYP19A1ESR1SHBGSERPINA6AR
SCHEMBL5499393 0.84 CYP19A1 (0.77) CYP19A1CYP1B1ESR1SHBGSERPINA6
SCHEMBL7070071 0.84 CYP19A1 (1.00) CYP19A1ESR1SHBGSERPINA6AR
SCHEMBL5697554 0.84 CYP19A1 (1.00) CYP19A1ESR1SHBGSERPINA6AR
SCHEMBL4441977 0.84 CYP19A1 (0.68) CYP19A1CYP1B1ESR1SHBGSERPINA6

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-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-1539183-A4 THERAPEUTIC TREATMENT METHODS HOLLIS EDEN PHARMACEUTICALS (US) 2007-04-25 EP disclosed
EP-1539183-A1 THERAPEUTIC TREATMENT METHODS Hollis-Eden Pharmaceuticals Inc. (US) 2005-06-15 EP disclosed