SCHEMBL9829575

SCHEMBL9829575

O=C(O)CCCCNC(=O)C1CCCCC1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.65
EPHX1 P07099 2/20 0.59
KEAP1 Q14145 1/20 0.56
NFE2L2 Q16236 1/20 0.56
EPHX2 P34913 2/20 0.54
PRMT1 Q99873 1/20 0.50
ITGB3 P05106 2/20 0.49
ITGA2B P08514 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 1/20 0.48
PKM P14618 1/20 0.48
RAB9A P51151 1/20 0.48
ADRA1A P35348 1/20 0.47
NAMPT P43490 1/20 0.47
DRD2 P14416 1/20 0.46
DRD3 P35462 1/20 0.46
ALDH1A1 P00352 1/20 0.44
HSD17B10 Q99714 1/20 0.44
GNAI3 P08754 1/20 0.44
GNAO1 P09471 1/20 0.44

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
SCHEMBL5655426 0.98 NAAA (0.68) NAAAEPHX1KEAP1NFE2L2EPHX2
SCHEMBL7897834 0.98 NAAA (0.68) NAAAEPHX1KEAP1NFE2L2EPHX2
SCHEMBL9831292 0.98 NAAA (0.62) NAAAEPHX1KEAP1NFE2L2EPHX2
SCHEMBL9830181 0.96 NAAA (0.65) NAAAEPHX1KEAP1NFE2L2EPHX2
SCHEMBL2678008 0.95 NAAA (0.62) NAAAEPHX1KEAP1NFE2L2EPHX2
SCHEMBL6502279 0.95 NAAA (0.62) NAAAEPHX1KEAP1NFE2L2EPHX2
SCHEMBL9831902 0.93 NAAA (0.60) NAAAEPHX1KEAP1NFE2L2EPHX2
SCHEMBL5902012 0.93 NAAA (0.59) NAAAEPHX1KEAP1NFE2L2EPHX2
SCHEMBL9830399 0.89 PRMT1 (0.59) NAAAEPHX1KEAP1NFE2L2EPHX2
SCHEMBL19359643 0.87 NAAA (0.56) NAAAEPHX1KEAP1NFE2L2EPHX2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0226304-B1 COMPOSITION CONTAINING A PENEM OR CARBAPENEM ANTIBIOTIC SANKYO COMPANY LIMITED (JP) 1991-08-28 EP disclosed
US-4757066-A Reduces renal toxicity SANKYO COMPANY LIMITED (JP) 1988-07-12 US disclosed
EP-0226304-A1 Composition containing a penem or carbapenem antibiotic SANKYO COMPANY LIMITED (JP) 1987-06-24 EP disclosed