Sugi Predict

Sugi Predict / Compounds / SCHEMBL9546838

SCHEMBL9546838

SCHEMBL9546838

CC(C)SCCCCCCCCCCCC(=O)OC1C[C@H]2N(C)C(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)CCC[C@H]3[C@H]12

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ SRD5A1 P18405 5/20 0.41
▸ SRD5A2 P31213 5/20 0.41

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
SCHEMBL9115003 1.00 SRD5A1 (0.41) SRD5A1SRD5A2
SCHEMBL7752588 0.76 SRD5A1 (0.51) SRD5A1SRD5A2
SCHEMBL7752597 0.76 SRD5A1 (0.51) SRD5A1SRD5A2
SCHEMBL8724749 0.75 SRD5A1 (0.36) SRD5A1SRD5A2
SCHEMBL8724755 0.75 SRD5A1 (0.36) SRD5A1SRD5A2
SCHEMBL9110002 0.75 HSD17B7 (0.44) SRD5A1SRD5A2
SCHEMBL5069369 0.74 SRD5A1 (0.43) SRD5A1SRD5A2
SCHEMBL5069375 0.74 SRD5A1 (0.43) SRD5A1SRD5A2
SCHEMBL7749933 0.73 SRD5A1 (0.56) SRD5A1SRD5A2
SCHEMBL7749938 0.73 SRD5A1 (0.56) SRD5A1SRD5A2

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
WO-1993023041-A1 ESTER DERIVATIVES OF 4-AZA-STEROIDS MERCK & CO., INC. (US) 1993-11-25 — — WO disclosed