SCHEMBL19976650

SCHEMBL19976650

O=C(NCC(C1CCCCCCCCCC1)[N+](=O)[O-])C1CCCCCCCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
HSD17B10 Q99714 1/20 0.44
NAAA Q02083 1/20 0.40
HDAC6 Q9UBN7 2/20 0.39
HDAC8 Q9BY41 1/20 0.39
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
CTSK P43235 1/20 0.37
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
HPGD P15428 1/20 0.35
PSMB5 P28074 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
NPC1 O15118 1/20 0.35
PKM P14618 1/20 0.35
EPHX2 P34913 1/20 0.35
RAB9A P51151 1/20 0.35
DPP4 P27487 1/20 0.34

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
SCHEMBL2370498 0.72 EPHX1 (0.34) EPHX1SMN1; SMN2MAPT
SCHEMBL6755753 0.71 EPHX1 (0.58) EPHX1SMN1; SMN2HSD17B10NAAAHDAC6
SCHEMBL5610069 0.71 EPHX1 (0.58) EPHX1SMN1; SMN2HSD17B10NAAAHDAC6
SCHEMBL17318311 0.69 EPHX1 (0.32) EPHX1SMN1; SMN2MAPT
SCHEMBL5858399 0.69 EPHX1 (0.53) EPHX1SMN1; SMN2HSD17B10NAAAHDAC6
SCHEMBL15057857 0.69 EPHX1 (0.52) EPHX1SMN1; SMN2HSD17B10NAAAHDAC6
SCHEMBL26763896 0.69 SMN1; SMN2 (0.55) EPHX1SMN1; SMN2HSD17B10NAAAHDAC6
SCHEMBL20794498 0.68 EPHX1 (0.52) EPHX1SMN1; SMN2HSD17B10NAAAHDAC6
SCHEMBL31452994 0.68 EPHX1 (0.52) EPHX1SMN1; SMN2HSD17B10NAAAHDAC6
SCHEMBL9830012 0.68 EPHX1 (0.52) EPHX1SMN1; SMN2HSD17B10NAAAHDAC6

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-9920046-B2 Oxime-substituted amide compound and pest control agent NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2018-03-20 US disclosed