Sugi Predict

Sugi Predict / Compounds / SCHEMBL8803933

SCHEMBL8803933

SCHEMBL8803933

CCN(CC)C(=O)N(C)C(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C=C(OS(=O)(=O)C(F)(F)F)CC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ SRD5A2 P31213 13/20 0.52
▸ SRD5A1 P18405 5/20 0.49

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
SCHEMBL8994111 0.92 SRD5A2 (0.52) SRD5A2SRD5A1
SCHEMBL8994156 0.88 SRD5A2 (0.56) SRD5A2SRD5A1
SCHEMBL8803098 0.87 SRD5A2 (0.54) SRD5A2SRD5A1
SCHEMBL8903671 0.85 SRD5A2 (0.54) SRD5A2SRD5A1
SCHEMBL8904714 0.85 SRD5A2 (0.54) SRD5A2SRD5A1
SCHEMBL8994158 0.85 SRD5A2 (0.52) SRD5A2SRD5A1
SCHEMBL8994161 0.84 SRD5A2 (0.53) SRD5A2SRD5A1
SCHEMBL9458050 0.84 SRD5A2 (0.53) SRD5A2SRD5A1
SCHEMBL8802889 0.83 SRD5A2 (0.71) SRD5A2SRD5A1
SCHEMBL8803319 0.83 SRD5A2 (0.59) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0540717-B1 UNSATURATED 17$g(b)-SUBSTITUTED 3-CARBOXY STEROIDS PHARMACIA & UPJOHN SPA (IT) 1997-07-23 — — EP disclosed
US-5212166-A Antiandrogens or 5-alpha reductase inhibitors FARMITALIA CARLO ERBA S.R.L. (IT) 1993-05-18 — — US disclosed
EP-0517047-A1 Unsaturated 17beta-substituted 3-carboxy steroids FARMITALIA CARLO ERBA S.r.l. (IT) 1992-12-09 — — EP disclosed
Send feedback