SCHEMBL8378243

SCHEMBL8378243

N[C@@H](CCC(=O)O)C(=O)Nc1ccc([N+](=O)[O-])c(C(=O)O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.46
S1PR1 P21453 1/20 0.45
S1PR3 Q99500 1/20 0.45
DTYMK P23919 1/20 0.43
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CES2 O00748 1/20 0.41
ABCB11 O95342 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
GLA P06280 1/20 0.41
CYP3A4 P08684 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
AR P10275 1/20 0.41
CHRM1 P11229 1/20 0.41
CYP2C9 P11712 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 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
SCHEMBL31458519 1.00 LTA4H (0.46) LTA4HS1PR1S1PR3DTYMKMMP2
Ammonia Solution, Strong SCHEMBL30421194 0.99 LTA4H (0.46) LTA4HS1PR1S1PR3DTYMKMMP2
SCHEMBL14586345 0.83 LTA4H (0.54) LTA4HALDH1A1LMNA
SCHEMBL29355173 0.83 LTA4H (0.54) LTA4HALDH1A1LMNA
SCHEMBL1870730 0.83 LTA4H (0.54) LTA4HALDH1A1LMNA
Ammonia Solution, Strong SCHEMBL29370733 0.82 LTA4H (0.53) LTA4HALDH1A1LMNA
Ammonia Solution, Strong SCHEMBL9816149 0.82 LTA4H (0.53) LTA4HALDH1A1LMNA
Ammonia Solution, Strong SCHEMBL29399251 0.82 LTA4H (0.53) LTA4HALDH1A1LMNA
SCHEMBL10766258 0.81 LTA4H (0.51) LTA4HS1PR1S1PR3MMP2MMP9
SCHEMBL9875433 0.81 LTA4H (0.51) LTA4HS1PR1S1PR3MMP2MMP9

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
EP-0525550-B1 Method of measuring analyte using dry analytical element FUJI PHOTO FILM CO LTD (JP) 1999-03-17 EP disclosed