SCHEMBL8994092

SCHEMBL8994092

CC(C)(NC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C=C(C(=O)O)CC[C@]4(C)[C@H]3CC[C@]12C)C(F)(F)F

nearest known ligand 0.83

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 13/20 0.83
SRD5A1 P18405 4/20 0.83

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
SCHEMBL8994170 0.91 SRD5A2 (0.69) SRD5A2SRD5A1
Epristeride SCHEMBL5444493 0.91 SRD5A2 (1.00) SRD5A2SRD5A1
Epristeride SCHEMBL61222 0.91 SRD5A2 (1.00) SRD5A2SRD5A1
Epristeride SCHEMBL23833504 0.91 SRD5A2 (1.00) SRD5A2SRD5A1
Epristeride SCHEMBL16115063 0.91 SRD5A2 (1.00) SRD5A2SRD5A1
Epristeride SCHEMBL9782857 0.90 SRD5A2 (0.98) SRD5A2SRD5A1
SCHEMBL9114229 0.89 SRD5A2 (0.86) SRD5A2SRD5A1
SCHEMBL8994143 0.88 SRD5A2 (0.75) SRD5A2SRD5A1
SCHEMBL9391082 0.87 SRD5A2 (0.82) SRD5A2SRD5A1
SCHEMBL9391071 0.87 SRD5A2 (0.82) SRD5A2SRD5A1

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-0721460-A1 3-CARBOXYSTEROIDS WITH A FLUORINATED SIDE CHAIN PHARMACIA & UPJOHN S.p.A. (IT) 1996-07-17 EP disclosed
WO-1996003420-A1 3-CARBOXYSTEROIDS WITH A FLUORINATED SIDE CHAIN PHARMACIA S.P.A. (IT) 1996-02-08 WO disclosed