SCHEMBL10892115

SCHEMBL10892115

O=C(CCNC(=O)C1CCCCC1)NCCS

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.49
EPHX1 P07099 1/20 0.47
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
NPC1 O15118 1/20 0.42
PKM P14618 1/20 0.42
EPHX2 P34913 1/20 0.42
RAB9A P51151 1/20 0.42
HSD17B10 Q99714 2/20 0.42
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CTSK P43235 1/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL23595437 0.89 NAAA (0.58) NAAAEPHX1KEAP1NFE2L2SMN1; SMN2
SCHEMBL15247178 0.81 HDAC3 (0.55) NAAAEPHX1KEAP1NFE2L2SMN1; SMN2
SCHEMBL10050310 0.80
Bicarbonate SCHEMBL7273907 0.78 HDAC6 (0.52) NAAAEPHX1KEAP1NFE2L2SMN1; SMN2
SCHEMBL3184451 0.78 NAAA (0.66) NAAAEPHX1KEAP1NFE2L2SMN1; SMN2
SCHEMBL5901310 0.77 NAAA (0.56) NAAAEPHX1KEAP1NFE2L2SMN1; SMN2
SCHEMBL3199790 0.77 NAAA (0.56) NAAAEPHX1KEAP1NFE2L2SMN1; SMN2
SCHEMBL9951287 0.77 NAAA (0.56) NAAAEPHX1KEAP1NFE2L2SMN1; SMN2
SCHEMBL19359643 0.77 NAAA (0.56) NAAAEPHX1KEAP1NFE2L2SMN1; SMN2
SCHEMBL14709057 0.76 NAAA (0.70) NAAAEPHX1KEAP1NFE2L2SMN1; SMN2

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-4609673-A ANTILIPEMIC AGENTS BOEHRINGER MANNHEIM GMBH (DE) 1986-09-02 US disclosed