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Sugi Predict / Compounds / SCHEMBL8072096

SCHEMBL8072096

SCHEMBL8072096

C[C@]12CCC(=O)C=C1NC[C@@H]1[C@H]2CC[C@]2(C)C(C(=O)NC(c3ccccc3)(C(F)(F)F)C(F)(F)F)CC[C@@H]12

nearest known ligand 0.84

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ SRD5A2 P31213 20/20 0.84

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
SCHEMBL8072095 1.00 SRD5A2 (0.84) SRD5A2
SCHEMBL8615409 0.91 SRD5A2 (1.00) SRD5A2
SCHEMBL8612171 0.91 SRD5A2 (1.00) SRD5A2
SCHEMBL8064125 0.87 SRD5A2 (0.64) SRD5A2
SCHEMBL8064116 0.87 SRD5A2 (0.64) SRD5A2
SCHEMBL8611644 0.86 SRD5A2 (1.00) SRD5A2
SCHEMBL8532138 0.86 SRD5A2 (1.00) SRD5A2
SCHEMBL7518785 0.85 SRD5A2 (0.61) SRD5A2
SCHEMBL7518793 0.85 SRD5A2 (0.61) SRD5A2
SCHEMBL8612621 0.82 SRD5A2 (1.00) SRD5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0902790-B1 PROCESS FOR PREPARING STEROIDS HAVING A CARBOXAMIDE SIDE-CHAIN PHARMACIA & UPJOHN SPA (IT) 2000-08-16 — — EP claimed
EP-0902790-B1 PROCESS FOR PREPARING STEROIDS HAVING A CARBOXAMIDE SIDE-CHAIN PHARMACIA & UPJOHN SPA (IT) 2000-08-16 — — EP disclosed
EP-0902790-A1 PROCESS FOR PREPARING STEROIDS HAVING A CARBOXAMIDE SIDE-CHAIN PHARMACIA & UPJOHN S.p.A. (IT) 1999-03-24 — — EP disclosed
WO-1997040062-A1 PROCESS FOR PREPARING STEROIDS HAVING A CARBOXAMIDE SIDE-CHAIN PHARMACIA & UPJOHN S.P.A. (IT) 1997-10-30 — — WO disclosed