Sugi Predict

Sugi Predict / Compounds / SCHEMBL8823337

SCHEMBL8823337

SCHEMBL8823337

CN1C(=O)C[C@@H](C(=O)NC(C)(C)C#N)[C@]2(C)[C@H]3CC[C@]4(C)CCC[C@H]4[C@@H]3CC[C@@H]12

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ MBOAT4 Q96T53 3/20 0.38
▸ SRD5A2 P31213 2/20 0.36

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
SCHEMBL8823339 1.00 MBOAT4 (0.38) MBOAT4SRD5A2
SCHEMBL7741691 0.80 SRD5A2 (0.41) MBOAT4SRD5A2
SCHEMBL8713486 0.79 SRD5A1 (0.41) MBOAT4SRD5A2
SCHEMBL8604667 0.78 MBOAT4 (0.42) MBOAT4
SCHEMBL5596628 0.76 SRD5A1 (0.54) SRD5A2
SCHEMBL4729968 0.76 SRD5A1 (0.54) SRD5A2
SCHEMBL8823350 0.73 SRD5A2 (0.63) SRD5A2
SCHEMBL8823348 0.73 SRD5A2 (0.63) SRD5A2
SCHEMBL27369735 0.73 MBOAT4 (0.39) MBOAT4SRD5A2
SCHEMBL7711769 0.71 MBOAT4 (0.38) MBOAT4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0538192-B1 New 17-beta-substituted aza-androstanderivatives CIBA GEIGY AG (CH) 1997-04-23 — — EP claimed