SCHEMBL8707682

SCHEMBL8707682

O=C(COn1nnnc1-c1ccc(F)cc1)N1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.46
HPGD P15428 2/20 0.46
GAA P10253 1/20 0.46
ALDH1A1 P00352 1/20 0.45
RAB9A P51151 4/20 0.45
NPC1 O15118 2/20 0.45
GRIN2B Q13224 8/20 0.44
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL8708939 0.86 ALDH1A1 (0.51) HSD17B10HPGDALDH1A1RAB9ANPC1
SCHEMBL8708569 0.86 RAB9A (0.47) ALDH1A1RAB9ANPC1GRIN2BSMN1; SMN2
SCHEMBL8711475 0.80 RAB9A (0.45) HPGDALDH1A1RAB9ANPC1GRIN2B
SCHEMBL8708017 0.77 RAB9A (0.44) HPGDGAAALDH1A1RAB9ANPC1
SCHEMBL8707477 0.77 RAB9A (0.48) HPGDGAAALDH1A1RAB9ANPC1
SCHEMBL8711638 0.77 RAB9A (0.52) HPGDGAAALDH1A1RAB9ANPC1
SCHEMBL8713566 0.75 HPGD (0.53) HPGDGAAALDH1A1RAB9ANPC1
SCHEMBL3184026 0.70 HPGD (0.61) HPGDGAAALDH1A1RAB9ANPC1
SCHEMBL9568794 0.70 ALDH1A1 (0.51) HSD17B10HPGDALDH1A1
SCHEMBL8470220 0.66 ALDH1A1 (0.49) HPGDGAAALDH1A1RAB9ANPC1

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-1998039309-A1 HETEROCYCLIC HERBICIDES DUNLENA PTY. LIMITED (AU) 1998-09-11 WO disclosed