SCHEMBL7427668

SCHEMBL7427668

NC(=O)/C=C/c1ccccc1CC(=O)N1CCOCC1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.48
KDM4E B2RXH2 3/20 0.47
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
HPGD P15428 1/20 0.46
FKBP1A P62942 2/20 0.44
KEAP1 Q14145 2/20 0.43
NFE2L2 Q16236 2/20 0.43
PKM P14618 1/20 0.43
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HTT P42858 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
SCHEMBL7427677 1.00 MAPT (0.48) MAPTKDM4ERAB9ANPC1HPGD
SCHEMBL9157538 0.88 MAPT (0.52) MAPTKDM4ERAB9ANPC1HPGD
SCHEMBL9157528 0.88 MAPT (0.52) MAPTKDM4ERAB9ANPC1HPGD
SCHEMBL11121684 0.76 MAPT (0.56) MAPTKDM4ERAB9ANPC1FKBP1A
SCHEMBL10479627 0.75 MAPT (0.57) MAPTKDM4ERAB9ANPC1FKBP1A
SCHEMBL6227110 0.74 RAB9A (0.57) MAPTKDM4ERAB9ANPC1FKBP1A
SCHEMBL4719668 0.74 MGLL (0.68) MAPTKDM4ERAB9ANPC1FKBP1A
SCHEMBL11321646 0.74 MAPT (0.56) MAPTKDM4ERAB9ANPC1FKBP1A
SCHEMBL22501227 0.72 MAPT (0.51) MAPTKDM4ERAB9ANPC1FKBP1A
SCHEMBL20886938 0.71 KMT2A (0.64) MAPTKDM4ERAB9ANPC1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0416393-A1 Peptidyl difluorodiol renin inhibitors ABBOTT LABORATORIES (US) 1991-03-13 EP claimed
EP-0416393-A1 Peptidyl difluorodiol renin inhibitors ABBOTT LABORATORIES (US) 1991-03-13 EP disclosed