Sugi Predict

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SCHEMBL8378956

SCHEMBL8378956

C[C@]12CC[C@H]3[C@@H](CNC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)NC(c1ccccc1)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ SRD5A2 P31213 19/20 1.00
▸ SRD5A1 P18405 2/20 0.70

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
SCHEMBL8612621 1.00 SRD5A2 (1.00) SRD5A2SRD5A1
SCHEMBL8531565 0.95 SRD5A2 (0.95) SRD5A2SRD5A1
SCHEMBL8531582 0.93 SRD5A2 (1.00) SRD5A2
SCHEMBL8656335 0.92 SRD5A2 (1.00) SRD5A2
SCHEMBL9388474 0.91 SRD5A2 (0.82) SRD5A2
SCHEMBL8634489 0.85 SRD5A2 (0.75) SRD5A2SRD5A1
SCHEMBL8530027 0.85 SRD5A2 (0.80) SRD5A2
SCHEMBL8612171 0.85 SRD5A2 (1.00) SRD5A2
SCHEMBL8530030 0.85 SRD5A2 (0.80) SRD5A2
SCHEMBL8615409 0.85 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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