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SCHEMBL8804484

SCHEMBL8804484

CCN(CC)C(=O)NC(=O)C1=CC2=CC[C@H]3[C@@H]4CC[C@H](C(=O)N(C(=O)NC(C)C)C(C)C)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ SRD5A2 P31213 11/20 0.59
▸ SRD5A1 P18405 4/20 0.53

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
SCHEMBL8803188 0.92 SRD5A2 (0.62) SRD5A2SRD5A1
SCHEMBL8802570 0.88 SRD5A2 (0.77) SRD5A2SRD5A1
SCHEMBL8803249 0.88 SRD5A2 (0.77) SRD5A2SRD5A1
SCHEMBL8802636 0.87 SRD5A2 (0.56) SRD5A2SRD5A1
SCHEMBL8802844 0.87 SRD5A2 (0.66) SRD5A2SRD5A1
SCHEMBL8803332 0.86 SRD5A2 (0.65) SRD5A2SRD5A1
SCHEMBL8804211 0.84 SRD5A2 (0.60) SRD5A2SRD5A1
SCHEMBL8802990 0.83 SRD5A2 (0.57) SRD5A2SRD5A1
SCHEMBL8803361 0.83 SRD5A2 (0.59) SRD5A2SRD5A1
SCHEMBL8802545 0.81 SRD5A2 (0.56) 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