SCHEMBL8908909

SCHEMBL8908909

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

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SRD5A2 P31213 13/20 0.65
▸ SRD5A1 P18405 4/20 0.65
▸ ESR1 P03372 1/20 0.47
▸ AR P10275 1/20 0.47
▸ ESR2 Q92731 1/20 0.47

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
SCHEMBL8994162 0.89 SRD5A2 (0.69) SRD5A2SRD5A1ESR1ARESR2
SCHEMBL8908565 0.88 SRD5A2 (0.52) SRD5A2SRD5A1ESR1ARESR2
SCHEMBL8994109 0.85 SRD5A2 (0.70) SRD5A2SRD5A1
SCHEMBL8994112 0.85 SRD5A2 (0.70) SRD5A2SRD5A1
SCHEMBL8994171 0.84 SRD5A2 (0.74) SRD5A2SRD5A1
SCHEMBL8908576 0.83 SRD5A2 (0.64) SRD5A2SRD5A1ESR1ARESR2
SCHEMBL8994136 0.83 SRD5A2 (0.74) SRD5A2SRD5A1
SCHEMBL8585490 0.83 SRD5A2 (0.66) SRD5A2SRD5A1
SCHEMBL8994129 0.83 SRD5A2 (0.66) SRD5A2SRD5A1
SCHEMBL8907905 0.83 SRD5A2 (0.66) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5641765-A TREATS PROSTATIC ADENOCARCINOMA, BENIGN PROSTATE HYPERTROPHY; ANTAGONSIT, ANTAGONISM SMITHKLINE BEECHAM CORPORATION (US) 1997-06-24 — — US claimed
EP-0669932-A4 17-ALPHA AND 17-BETA SUBSTITUTED ACYL-3-CARBOXY-3,5-DIENES AND USE IN INHIBITING 5-ALPHA-REDUCTASE. SMITHKLINE BEECHAM CORP (US) 1995-10-25 — — EP claimed
EP-0669932-A1 17-ALPHA AND 17-BETA SUBSTITUTED ACYL-3-CARBOXY-3,5-DIENES AND USE IN INHIBITING 5-ALPHA-REDUCTASE SMITHKLINE BEECHAM CORPORATION (US) 1995-09-06 — — EP claimed
WO-1994011386-A1 17-ALPHA AND 17-BETA SUBSTITUTED ACYL-3-CARBOXY-3,5-DIENES AND USE IN INHIBITING 5-ALPHA-REDUCTASE SMITHKLINE BEECHAM CORPORATION (US) 1994-05-26 — — WO claimed
US-5641765-A TREATS PROSTATIC ADENOCARCINOMA, BENIGN PROSTATE HYPERTROPHY; ANTAGONSIT, ANTAGONISM SMITHKLINE BEECHAM CORPORATION (US) 1997-06-24 — — US disclosed
US-5641877-A 17-α and 17-β substituted acyl-3-carboxy-3, 5-dienes and use in inhibiting 5-α-reductase SMITHKLINE BEECHAM CORPORATION (US) 1997-06-24 — — US disclosed
EP-0669932-A4 17-ALPHA AND 17-BETA SUBSTITUTED ACYL-3-CARBOXY-3,5-DIENES AND USE IN INHIBITING 5-ALPHA-REDUCTASE. SMITHKLINE BEECHAM CORP (US) 1995-10-25 — — EP disclosed
EP-0669932-A1 17-ALPHA AND 17-BETA SUBSTITUTED ACYL-3-CARBOXY-3,5-DIENES AND USE IN INHIBITING 5-ALPHA-REDUCTASE SMITHKLINE BEECHAM CORPORATION (US) 1995-09-06 — — EP disclosed
WO-1994011386-A1 17-ALPHA AND 17-BETA SUBSTITUTED ACYL-3-CARBOXY-3,5-DIENES AND USE IN INHIBITING 5-ALPHA-REDUCTASE SMITHKLINE BEECHAM CORPORATION (US) 1994-05-26 — — WO disclosed
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