SCHEMBL7303955

SCHEMBL7303955

N[C@@H](CCC(=O)O)C(=O)NC(=O)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.58
HTT P42858 1/20 0.52
SLC1A3 P43003 1/20 0.50
SLC1A1 P43005 1/20 0.50
FOLH1 Q04609 3/20 0.48
ANPEP P15144 1/20 0.47
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA9 Q16790 2/20 0.47
SLC15A1 P46059 1/20 0.47
MME P08473 1/20 0.45
ECE1 P42892 1/20 0.45
CPB1 P15086 1/20 0.44

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
SCHEMBL9202736 0.85 LTA4H (0.55) LTA4HHTTSLC1A3SLC1A1ANPEP
SCHEMBL9202741 0.85 LTA4H (0.55) LTA4HHTTSLC1A3SLC1A1ANPEP
SCHEMBL5906855 0.84 CTRB1 (0.54) SLC1A3SLC1A1CA12CA1CA2
SCHEMBL5906852 0.84 CTRB1 (0.54) SLC1A3SLC1A1CA12CA1CA2
SCHEMBL9195808 0.84 LTA4H (0.60) LTA4HSLC1A3SLC1A1ANPEPECE1
SCHEMBL9195814 0.84 LTA4H (0.60) LTA4HSLC1A3SLC1A1ANPEPECE1
SCHEMBL11190557 0.83 CTRB1 (0.56) HTTSLC1A3SLC1A1CA12CA1
SCHEMBL5160238 0.82 SLC1A3 (0.47) LTA4HHTTSLC1A3SLC1A1ANPEP
SCHEMBL36610 0.82 SLC1A3 (0.47) LTA4HHTTSLC1A3SLC1A1ANPEP
SCHEMBL561573 0.82 LTA4H (0.56) LTA4HHTTSLC1A3SLC1A1FOLH1

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-0587311-A1 Peptides capable of inhibiting the activity of HIV protease, their preparation and their therapeutic use SANKYO COMPANY LIMITED (JP) 1994-03-16 EP disclosed