SCHEMBL7560433

SCHEMBL7560433

CC(C)(C)OC(=O)N(CC(=O)O)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 2/20 0.46
HTT P42858 2/20 0.46
PKM P14618 2/20 0.46
TRPM8 Q7Z2W7 1/20 0.46
MAPT P10636 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALOX5 P09917 1/20 0.44
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
LMNA P02545 2/20 0.41
ATM Q13315 1/20 0.41
MAOB P27338 1/20 0.41
TP53 P04637 1/20 0.40
NR3C2 P08235 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL9848814 0.89 MEN1 (0.46) ALDH1A1KDM4EHTTPKMTRPM8
SCHEMBL9298402 0.88 MAPT (0.42) ALDH1A1KDM4EHTTPKMTRPM8
SCHEMBL8727987 0.85 ALDH1A1 (0.48) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL16943231 0.84 MAPT (0.43) ALDH1A1KDM4EHTTPKMTRPM8
SCHEMBL31679530 0.83 ALDH1A1 (0.48) ALDH1A1KDM4EHTTPKMTRPM8
SCHEMBL29900630 0.81 ALOX5 (0.49) ALDH1A1KDM4EHTTPKMTRPM8
SCHEMBL28932929 0.81 ALOX5 (0.49) ALDH1A1KDM4EHTTPKMTRPM8
SCHEMBL30270586 0.81 CYP1A2 (0.52) ALDH1A1KDM4EHTTPKMTRPM8
SCHEMBL15155861 0.81 MAPT (0.48) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL29868333 0.81 ALDH1A1 (0.49) ALDH1A1HTTMAPTNPC1RAB9A

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
WO-2002024192-A1 DIPEPTIDE LIGANDS OF THE NPFF RECEPTOR FOR TREATING PAIN AND HYPERALGESIA INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 2002-03-28 WO disclosed
EP-0459730-A2 Anti-tumour compounds ZENECA LIMITED (GB) 1991-12-04 EP disclosed