SCHEMBL13508246

SCHEMBL13508246

CN1C(C)(C)CC(N(C=O)CCCCCN(C=O)C2CC(C)(C)N(C)C(C)(C)C2)CC1(C)C

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADH1A P07327 4/20 0.50
ADH1C P00326 3/20 0.50
ADH4 P08319 1/20 0.50
SRD5A1 P18405 4/20 0.33
SRD5A2 P31213 2/20 0.33
HSD17B7 P56937 1/20 0.33

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
SCHEMBL1276729 1.00 ADH1A (0.50) ADH1AADH1CADH4SRD5A1SRD5A2
SCHEMBL4096213 0.94 ADH1A (0.61) ADH1AADH1CADH4SRD5A1SRD5A2
SCHEMBL3836879 0.94 ADH1A (0.61) ADH1AADH1CADH4SRD5A1SRD5A2
SCHEMBL4093337 0.94 ADH1A (0.61) ADH1AADH1CADH4SRD5A1SRD5A2
SCHEMBL4099343 0.92 ADH1A (0.58) ADH1AADH1CADH4SRD5A1SRD5A2
SCHEMBL4096853 0.90 ADH1A (0.51) ADH1AADH1CADH4SRD5A1SRD5A2
SCHEMBL757255 0.85 ADH1A (0.49) ADH1AADH1CADH4SRD5A1SRD5A2
SCHEMBL10156086 0.84 ADH1A (0.33) ADH1AADH1CADH4
SCHEMBL5820476 0.80 ADH1C (0.33) ADH1AADH1CADH4
SCHEMBL25701911 0.80 ADH1A (0.44) ADH1AADH1CADH4

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-20100048773-A1 AGRICULTURAL ARTICLES BONORA MICHELA 2010-02-25 US disclosed