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Sugi Predict / Compounds / SCHEMBL9066308

SCHEMBL9066308

SCHEMBL9066308

C[C@]12CCC(=O)N[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]2(O)C#CCCBr

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ SRD5A2 P31213 4/20 0.46
▸ SRD5A1 P18405 3/20 0.45
▸ SHBG P04278 1/20 0.44
▸ AR P10275 1/20 0.43

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
SCHEMBL6701113 0.91 SRD5A2 (0.47) SRD5A2SRD5A1SHBGAR
SCHEMBL6700170 0.89 SRD5A2 (0.46) SRD5A2SRD5A1SHBGAR
SCHEMBL9216224 0.82 SRD5A2 (0.52) SRD5A2SRD5A1SHBGAR
SCHEMBL9216217 0.82 SRD5A2 (0.52) SRD5A2SRD5A1SHBGAR
SCHEMBL9066316 0.81 SRD5A2 (0.39) SRD5A2SRD5A1SHBGAR
SCHEMBL9066101 0.79 HSD17B7 (0.52) SRD5A2SRD5A1
SCHEMBL9066310 0.79 SRD5A2 (0.47) SRD5A2SRD5A1SHBGAR
SCHEMBL9066010 0.75 SRD5A1 (0.51) SRD5A2SRD5A1AR
SCHEMBL9066006 0.75 SRD5A1 (0.51) SRD5A2SRD5A1AR
SCHEMBL8080861 0.73 SRD5A2 (0.50) SRD5A2SRD5A1AR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5494914-A USEFUL FOR TREATMENT OF DISEASES WHOSE PROGRESS IS AIDED BY ACTIVATION OF ANDROGEN RECEPTORS ENDORECHERCHE (CA) 1996-02-27 — — US disclosed
EP-0641211-A1 INHIBITORS OF TESTOSTERONE 5$g(a)-REDUCTASE ACTIVITY ENDORECHERCHE INC. (CA) 1995-03-08 — — EP disclosed
WO-1993023053-A1 INHIBITORS OF TESTOSTERONE 5α-REDUCTASE ACTIVITY ENDORECHERCHE INC. (CA) 1993-11-25 — — WO disclosed