SCHEMBL8908689

SCHEMBL8908689

C[C@]12CC[C@H]3[C@@H](CC=C4C=C(C(=O)O)CC[C@@]43C)[C@@H]1CC[C@H]2C(=O)CCc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ SRD5A2 P31213 13/20 0.66
▸ SRD5A1 P18405 5/20 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
SCHEMBL8585490 1.00 SRD5A2 (0.66) SRD5A2SRD5A1
SCHEMBL8907905 1.00 SRD5A2 (0.66) SRD5A2SRD5A1
SCHEMBL8908576 0.93 SRD5A2 (0.64) SRD5A2SRD5A1
SCHEMBL8907848 0.92 SRD5A2 (0.63) SRD5A2SRD5A1
SCHEMBL8909300 0.92 SRD5A2 (0.63) SRD5A2SRD5A1
SCHEMBL9116904 0.92 SRD5A2 (0.62) SRD5A2SRD5A1
SCHEMBL8907918 0.92 SRD5A2 (0.68) SRD5A2SRD5A1
SCHEMBL8908454 0.91 SRD5A2 (0.58) SRD5A2SRD5A1
SCHEMBL8909603 0.91 SRD5A2 (0.61) SRD5A2SRD5A1
SCHEMBL8909283 0.89 SRD5A2 (0.53) 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
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
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