SCHEMBL8908454

SCHEMBL8908454

COC(=O)C1=CC2=CC[C@H]3[C@@H]4CC[C@H](C(=O)CCc5ccccc5)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SRD5A2 P31213 11/20 0.58
▸ SRD5A1 P18405 5/20 0.58
▸ ALDH1A1 P00352 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ G6PD P11413 1/20 0.44
▸ ABCB11 O95342 1/20 0.44
▸ SHBG P04278 1/20 0.44
▸ SERPINA6 P08185 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ MAPK1 P28482 1/20 0.44

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
SCHEMBL8585490 0.91 SRD5A2 (0.66) SRD5A2SRD5A1
SCHEMBL8907905 0.91 SRD5A2 (0.66) SRD5A2SRD5A1
SCHEMBL8908689 0.91 SRD5A2 (0.66) SRD5A2SRD5A1
SCHEMBL8909603 0.86 SRD5A2 (0.61) SRD5A2SRD5A1
SCHEMBL8909283 0.86 SRD5A2 (0.53) SRD5A2SRD5A1ALDH1A1SMN1; SMN2LMNA
SCHEMBL9457819 0.85 SRD5A2 (0.60) SRD5A2SRD5A1
SCHEMBL9392669 0.85 SRD5A2 (0.66) SRD5A2SRD5A1
SCHEMBL8908576 0.85 SRD5A2 (0.64) SRD5A2SRD5A1
SCHEMBL8908708 0.85 SRD5A2 (0.48) SRD5A2SRD5A1G6PD
SCHEMBL9116904 0.84 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 5 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 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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