SCHEMBL14135381

SCHEMBL14135381

CC(C)(C)OC(=O)N1CCCC1C(=O)OCCN

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 2/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ NPC1 O15118 1/20 0.46
▸ FKBP1A P62942 6/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ KLK7 P49862 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ EPHX2 P34913 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ GLA P06280 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ TSHR P16473 1/20 0.43

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
SCHEMBL16748121 0.86 HSD17B10 (0.51) HSD17B10SMN1; SMN2NPC1FKBP1AMEN1
SCHEMBL8490085 0.86 HSD17B10 (0.51) HSD17B10SMN1; SMN2NPC1FKBP1AMEN1
SCHEMBL25736771 0.86 HSD17B10 (0.54) HSD17B10SMN1; SMN2NPC1FKBP1AMEN1
SCHEMBL12215284 0.85 FKBP1A (0.52) HSD17B10SMN1; SMN2NPC1FKBP1AMEN1
SCHEMBL18676059 0.85 FKBP1A (0.52) HSD17B10SMN1; SMN2NPC1FKBP1AMEN1
SCHEMBL25960272 0.85 FKBP1A (0.50) HSD17B10SMN1; SMN2NPC1FKBP1AMEN1
SCHEMBL8223617 0.85 FKBP1A (0.58) HSD17B10SMN1; SMN2NPC1FKBP1AMEN1
SCHEMBL440340 0.85 FKBP1A (0.58) HSD17B10SMN1; SMN2NPC1FKBP1AMEN1
SCHEMBL3206028 0.85 HSD17B10 (0.54) HSD17B10SMN1; SMN2NPC1FKBP1AMEN1
SCHEMBL4962228 0.85 HSD17B10 (0.54) HSD17B10SMN1; SMN2NPC1FKBP1AMEN1

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-2008095841-A2 NITRIC OXIDE DONOR COMPOUNDS NICOX S.A. (FR) 2008-08-14 — — WO disclosed
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