SCHEMBL11280290

SCHEMBL11280290

N[C@@H](CC(=O)O)C(=O)N(C(=O)OCc1ccccc1)[C@@H](CC(=O)O)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC15A1 P46059 2/20 0.43
LTA4H P09960 2/20 0.43
SLC1A1 P43005 4/20 0.42
SLC1A3 P43003 3/20 0.42
SLC1A2 P43004 2/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 2/20 0.39
ALPI P09923 1/20 0.39
PKM P14618 1/20 0.39
PTGS1 P23219 1/20 0.39
XIAP P98170 1/20 0.39
SLC7A5 Q01650 1/20 0.39
LMNA P02545 1/20 0.38

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
SCHEMBL10901317 1.00 SLC15A1 (0.43) SLC15A1LTA4HSLC1A1SLC1A3SLC1A2
SCHEMBL11121985 0.89 SLC15A1 (0.43) SLC15A1LTA4HSLC1A1SLC1A3SLC1A2
SCHEMBL28454256 0.85 ALDH1A1 (0.44) KMT2AALDH1A1LMNA
SCHEMBL6904576 0.84 ABCB1 (0.47) SLC15A1LTA4HSLC1A1SLC1A3ALDH1A1
SCHEMBL9330125 0.84 ABCB1 (0.47) SLC15A1LTA4HSLC1A1SLC1A3ALDH1A1
SCHEMBL29487584 0.84 SLC15A1 (0.41) SLC15A1LTA4HSLC1A1SLC1A3SLC1A2
SCHEMBL28790921 0.83 SLC15A1 (0.50) SLC15A1LTA4HSLC1A1SLC1A3SLC1A2
SCHEMBL3647251 0.83 ALDH1A1 (0.49) SLC15A1KMT2AALDH1A1LMNA
SCHEMBL17942116 0.82 KMT2A (0.46) KMT2ASMN1; SMN2ALDH1A1LMNA
SCHEMBL31482431 0.81 SLC7A5 (0.50) SLC15A1LTA4HSLC1A1SLC1A3SLC1A2

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
US-4345091-A Method of producing N-benzyloxycarbonyl-L-aspartic acid AJINOMOTO COMPANY INCORPORATED (JP) 1982-08-17 US disclosed