SCHEMBL8994112

SCHEMBL8994112

CC(CC(=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 0.70

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ SRD5A2 P31213 15/20 0.70
▸ SRD5A1 P18405 4/20 0.66

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
SCHEMBL8994109 1.00 SRD5A2 (0.70) SRD5A2SRD5A1
SCHEMBL8148938 0.91 SRD5A2 (0.75) SRD5A2SRD5A1
SCHEMBL8994118 0.91 SRD5A2 (0.57) SRD5A2SRD5A1
SCHEMBL8994162 0.88 SRD5A2 (0.69) SRD5A2SRD5A1
SCHEMBL8994125 0.87 SRD5A2 (0.60) SRD5A2SRD5A1
SCHEMBL8908909 0.85 SRD5A2 (0.65) SRD5A2SRD5A1
SCHEMBL8994154 0.85 SRD5A2 (0.53) SRD5A2SRD5A1
SCHEMBL9237235 0.83 SRD5A2 (0.71) SRD5A2SRD5A1
SCHEMBL8994171 0.83 SRD5A2 (0.74) SRD5A2SRD5A1
SCHEMBL8907918 0.83 SRD5A2 (0.68) 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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