SCHEMBL10599992

SCHEMBL10599992

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

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 10/20 0.59
SLC1A3 P43003 4/20 0.46
SLC1A2 P43004 4/20 0.46
SLC1A1 P43005 4/20 0.46
HPGD P15428 2/20 0.45
POLB P06746 1/20 0.45
CASR P41180 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL6006561 0.90 LTA4H (0.59) LTA4HSLC1A3SLC1A2SLC1A1POLB
SCHEMBL7039236 0.83 LTA4H (0.60) LTA4HSLC1A3SLC1A2SLC1A1CASR
SCHEMBL176867 0.83 LTA4H (0.60) LTA4HHPGDPOLBCASRALDH1A1
Hydrochloric Acid SCHEMBL11250845 0.82 LTA4H (0.59) LTA4HHPGDPOLBCASRALDH1A1
SCHEMBL10790488 0.81 LTA4H (0.57) LTA4HSLC1A3SLC1A2SLC1A1POLB
SCHEMBL31370195 0.80 LTA4H (0.73) LTA4HSLC1A3SLC1A2SLC1A1POLB
SCHEMBL176775 0.79 LTA4H (0.55) LTA4HCASR
SCHEMBL11574416 0.79 LTA4H (0.55) LTA4HSLC1A3SLC1A2SLC1A1CASR
SCHEMBL6003045 0.79 LTA4H (0.55) LTA4HSLC1A3SLC1A2SLC1A1CASR
SCHEMBL31369727 0.78 LTA4H (0.66) LTA4HSLC1A3SLC1A2SLC1A1HPGD

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
JP-1025749-A None JP disclosed