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Sugi Predict / Compounds / SCHEMBL8724749

SCHEMBL8724749

SCHEMBL8724749

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

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ SRD5A1 P18405 7/20 0.36
▸ SRD5A2 P31213 4/20 0.36
▸ HSD17B7 P56937 1/20 0.35

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
SCHEMBL8724755 1.00 SRD5A1 (0.36) SRD5A1SRD5A2HSD17B7
SCHEMBL9275072 0.78 SRD5A1 (0.37) SRD5A1SRD5A2
SCHEMBL8902532 0.78 SRD5A1 (0.37) SRD5A1SRD5A2
SCHEMBL8910849 0.76 HSD17B7 (0.50) SRD5A1SRD5A2HSD17B7
SCHEMBL8910844 0.76 HSD17B7 (0.50) SRD5A1SRD5A2HSD17B7
SCHEMBL9546838 0.75 SRD5A1 (0.41) SRD5A1SRD5A2
SCHEMBL9115003 0.75 SRD5A1 (0.41) SRD5A1SRD5A2
SCHEMBL5069375 0.72 SRD5A1 (0.43) SRD5A1SRD5A2
SCHEMBL5069369 0.72 SRD5A1 (0.43) SRD5A1SRD5A2
SCHEMBL9005677 0.71 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
US-5710275-A ENZYME AND HORMONE INHIBITORS MERCK & CO., INC. (US) 1998-01-20 — — US disclosed