SCHEMBL8994151

SCHEMBL8994151

C[C@]12CC[C@H]3[C@@H](CC=C4C=C(C(=O)O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)NC(c1ccccc1)C(F)(F)F

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 13/20 0.68
SRD5A1 P18405 7/20 0.68

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
SCHEMBL8994114 0.93 SRD5A2 (0.58) SRD5A2SRD5A1
SCHEMBL8630348 0.89 SRD5A2 (0.70) SRD5A2SRD5A1
SCHEMBL8915261 0.89 SRD5A2 (0.70) SRD5A2SRD5A1
SCHEMBL8994116 0.86 SRD5A2 (0.51) SRD5A2SRD5A1
SCHEMBL9237235 0.86 SRD5A2 (0.71) SRD5A2SRD5A1
SCHEMBL8914630 0.85 SRD5A2 (0.65) SRD5A2SRD5A1
SCHEMBL8632199 0.85 SRD5A2 (0.64) SRD5A2SRD5A1
SCHEMBL8914670 0.85 SRD5A2 (0.64) SRD5A2SRD5A1
SCHEMBL8914433 0.85 SRD5A1 (0.69) SRD5A2SRD5A1
SCHEMBL9112554 0.85 SRD5A2 (0.62) 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 4 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 claimed
WO-1996003420-A1 3-CARBOXYSTEROIDS WITH A FLUORINATED SIDE CHAIN PHARMACIA S.P.A. (IT) 1996-02-08 WO claimed
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