SCHEMBL5197110

SCHEMBL5197110

Cc1ccc([C@@H]2CC3=CC(=O)CC[C@]3(C)C3=CC[C@]4(C)[C@@H](CCC(=O)O)CC[C@H]4[C@@H]32)o1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.36
NR3C1 P04150 3/20 0.36
AR P10275 4/20 0.32
PGR P06401 1/20 0.30
NR3C2 P08235 1/20 0.30

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
SCHEMBL4823153 0.82 NR3C1 (0.42) CYP19A1NR3C1ARPGRNR3C2
SCHEMBL6755263 0.82 NR3C1 (0.42) CYP19A1NR3C1ARPGRNR3C2
SCHEMBL7113336 0.82 NR3C1 (0.42) CYP19A1NR3C1ARPGRNR3C2
SCHEMBL14108981 0.80 CYP19A1 (0.37) CYP19A1NR3C1ARPGRNR3C2
SCHEMBL5199219 0.75 NR3C1 (0.33) CYP19A1NR3C1
SCHEMBL14084990 0.74 NR3C1 (0.41) CYP19A1NR3C1ARPGRNR3C2
SCHEMBL6753119 0.72 NR3C1 (0.41) CYP19A1NR3C1ARPGRNR3C2
SCHEMBL4815312 0.72 NR3C1 (0.41) CYP19A1NR3C1ARPGRNR3C2
SCHEMBL6706204 0.69 NR3C1 (0.42) CYP19A1NR3C1ARPGRNR3C2
SCHEMBL6755244 0.69 AR (0.34) CYP19A1AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1539795-B1 CRYSTALLINE 17BETA-HYDROXY-7ALPHA-(5'-METHYL-2'-FURYL)-PREGNA-4,9(11)-DIEN-3-ONE-21-CARBOXYLIC ACID, GAMMA-LACTONE PHARMACIA & UPJOHN CO LLC (US) 2007-10-31 EP disclosed