SCHEMBL11696239

SCHEMBL11696239

CC(N)(CCc1ccccc1)C(=O)N(C(=O)OCc1ccccc1)C(=O)[C@@H](N)CC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
SLC15A1 P46059 2/20 0.35
ABCB1 P08183 1/20 0.35
CASP1 P29466 4/20 0.35
ALDH1A1 P00352 1/20 0.35
MMP12 P39900 1/20 0.35
KIF11 P52732 1/20 0.34
SLC1A3 P43003 2/20 0.34
SLC1A2 P43004 2/20 0.34
SLC1A1 P43005 2/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL11698202 0.88 LTA4H (0.40) LTA4HSMN1; SMN2SLC15A1ABCB1ALDH1A1
SCHEMBL11280290 0.70 SLC15A1 (0.43) LTA4HSMN1; SMN2SLC15A1ALDH1A1SLC1A3
SCHEMBL10901317 0.70 SLC15A1 (0.43) LTA4HSMN1; SMN2SLC15A1ALDH1A1SLC1A3
SCHEMBL10602654 0.70 SLC1A1 (0.49) LTA4HSLC15A1ABCB1ALDH1A1SLC1A3
SCHEMBL27873595 0.69 LTA4H (0.54) LTA4HSMN1; SMN2SLC15A1ALDH1A1SLC1A3
SCHEMBL169622 0.69 LTA4H (0.54) LTA4HSMN1; SMN2SLC15A1ALDH1A1SLC1A3
SCHEMBL304415 0.69 LTA4H (0.54) LTA4HSMN1; SMN2SLC15A1ALDH1A1SLC1A3
SCHEMBL9826432 0.68 LTA4H (0.41) LTA4HSMN1; SMN2SLC15A1ABCB1CASP1
SCHEMBL6904576 0.68 ABCB1 (0.47) LTA4HSLC15A1ABCB1ALDH1A1SLC1A3
SCHEMBL9330125 0.68 ABCB1 (0.47) LTA4HSLC15A1ABCB1ALDH1A1SLC1A3

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-4012367-A Anti-ulcer polypeptides containing L-aspartic acid and intermediates thereto G. D. SEARLE & CO. (US) 1977-03-15 US disclosed