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SCHEMBL8525689

SCHEMBL8525689

CCCCCCCC(=O)NC(C(=O)OC)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ HSD17B7 P56937 1/20 0.57
▸ SRD5A1 P18405 7/20 0.55
▸ SRD5A2 P31213 3/20 0.54

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
SCHEMBL8525142 0.88 HSD17B7 (0.61) HSD17B7SRD5A1SRD5A2
SCHEMBL8525138 0.88 HSD17B7 (0.61) HSD17B7SRD5A1SRD5A2
SCHEMBL8499370 0.85 SRD5A1 (0.56) SRD5A1SRD5A2
SCHEMBL8723433 0.83 SRD5A1 (0.62) HSD17B7SRD5A1SRD5A2
SCHEMBL8723431 0.83 SRD5A1 (0.62) HSD17B7SRD5A1SRD5A2
SCHEMBL7751216 0.82 SRD5A1 (0.62) HSD17B7SRD5A1SRD5A2
SCHEMBL7751219 0.82 SRD5A1 (0.62) HSD17B7SRD5A1SRD5A2
SCHEMBL7750361 0.81 HSD17B7 (0.61) HSD17B7SRD5A1SRD5A2
SCHEMBL7751296 0.81 HSD17B7 (0.61) HSD17B7SRD5A1SRD5A2
SCHEMBL7751299 0.81 HSD17B7 (0.61) HSD17B7SRD5A1SRD5A2

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-0649431-B1 17-AMINO SUBSTITUTED 4-AZASTEROID 5-ALPHA-REDUCTASE INHIBITORS MERCK & CO INC (US) 1999-08-11 — — EP claimed