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SCHEMBL8994161

SCHEMBL8994161

C[C@]12CC[C@H]3[C@@H](CC=C4C=C(OS(=O)(=O)C(F)(F)F)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)N(CC(F)(F)F)C(=O)NCC(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ SRD5A2 P31213 10/20 0.53
▸ SRD5A1 P18405 5/20 0.51

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
SCHEMBL8994117 0.90 SRD5A2 (0.55) SRD5A2SRD5A1
SCHEMBL8994156 0.89 SRD5A2 (0.56) SRD5A2SRD5A1
SCHEMBL8994111 0.89 SRD5A2 (0.52) SRD5A2SRD5A1
SCHEMBL8994124 0.87 SRD5A2 (0.57) SRD5A2SRD5A1
SCHEMBL8994134 0.87 SRD5A2 (0.69) SRD5A2SRD5A1
SCHEMBL8994158 0.86 SRD5A2 (0.52) SRD5A2SRD5A1
SCHEMBL8903671 0.85 SRD5A2 (0.54) SRD5A2SRD5A1
SCHEMBL8904714 0.85 SRD5A2 (0.54) SRD5A2SRD5A1
SCHEMBL8803933 0.84 SRD5A2 (0.52) SRD5A2SRD5A1
SCHEMBL8802401 0.84 SRD5A2 (0.55) 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
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