SCHEMBL8850414

SCHEMBL8850414

N[C@@H](CC(=O)O)C(=O)N(c1ccccc1)[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.39
TSHR P16473 1/20 0.39
KMO O15229 1/20 0.36
GABBR2 O75899 1/20 0.36
GABBR1 Q9UBS5 1/20 0.36
POLB P06746 1/20 0.35
MAPK1 P28482 1/20 0.35
ALPI P09923 1/20 0.34
PKM P14618 1/20 0.34
PTGS1 P23219 1/20 0.34
XIAP P98170 1/20 0.34
SLC7A5 Q01650 1/20 0.34
LTA4H P09960 2/20 0.34
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CRHBP P24387 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
CRHR2 Q13324 1/20 0.33
TLR9 Q9NR96 1/20 0.33

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
SCHEMBL27342871 0.85 CYP1A2 (0.40) CYP1A2TSHRLTA4HALDH1A1SLC15A1
SCHEMBL9100092 0.84 ALPI (0.51) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL5016829 0.84 ALPI (0.51) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL851646 0.82 LARS1 (0.42) SLC7A5LTA4HALDH1A1
SCHEMBL9391207 0.80 DPP7 (0.43) POLBLTA4HKMT2AMC4R
SCHEMBL27798628 0.80 ATM (0.38) MEN1ALDH1A1CRHBPKMT2AATM
SCHEMBL9115063 0.77 POLB (0.50) GABBR2GABBR1POLBMAPK1ALPI
SCHEMBL7888149 0.75 NOS1 (0.40) ALDH1A1
Hydrochloric Acid SCHEMBL7876078 0.74 NOS1 (0.39) ALDH1A1
SCHEMBL27342873 0.74 LTA4H (0.43) CYP1A2KMOALPIPKMPTGS1

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-0514220-B1 Aqueous coating composition NIPPON CARBIDE KOGYO KK (JP) 1997-03-05 EP disclosed
US-5424355-A Chip resistant NIPPON CARBIDE KOGYO KABUSHIKI KAISHA (JP) 1995-06-13 US disclosed
EP-0514220-A1 Aqueous coating composition NIPPON CARBIDE KOGYO KABUSHIKI KAISHA (JP) 1992-11-19 EP disclosed