SCHEMBL9500536

SCHEMBL9500536

CS(=O)(=O)c1ccc(C[C@H](N)[C@H](O)C(=O)NC2(C(=O)O)CCCC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LAP3 P28838 2/20 0.42
ANPEP P15144 1/20 0.42
RNPEP Q9H4A4 1/20 0.42
DNPEP Q9ULA0 1/20 0.42
CYP1A2 P05177 1/20 0.40
EPHX1 P07099 1/20 0.38
ITGB1 P05556 6/20 0.36
ITGA4 P13612 6/20 0.36
LTA4H P09960 1/20 0.35
HTT P42858 2/20 0.34
ECE1 P42892 1/20 0.34
USP2 O75604 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PTGS2 P35354 1/20 0.33
GRM4 Q14833 1/20 0.33
CTSC P53634 1/20 0.33

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
SCHEMBL9500894 1.00 LAP3 (0.42) LAP3ANPEPRNPEPDNPEPCYP1A2
SCHEMBL9498619 1.00 LAP3 (0.42) LAP3ANPEPRNPEPDNPEPCYP1A2
SCHEMBL9500855 0.99 LAP3 (0.41) LAP3ANPEPRNPEPDNPEPCYP1A2
SCHEMBL9500612 0.98 LAP3 (0.42) LAP3ANPEPRNPEPDNPEPCYP1A2
SCHEMBL9500847 0.95 LAP3 (0.44) LAP3ANPEPRNPEPDNPEPCYP1A2
SCHEMBL9498914 0.85 LAP3 (0.54) LAP3ANPEPRNPEPDNPEPLTA4H
Hydrochloric Acid SCHEMBL9500443 0.83 HTT (0.38) LAP3ANPEPRNPEPDNPEPEPHX1
SCHEMBL9502271 0.79 ECE1 (0.38) ITGB1ITGA4ECE1
SCHEMBL9499477 0.78 CYP3A4 (0.46) CYP1A2SMN1; SMN2
SCHEMBL9500871 0.74 EPHX1 (0.42) EPHX1ITGB1ITGA4CTSC

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-0333000-B1 PEPTIDES WITH INHIBITORY ACTIVITY OF ENZYMATIC SYSTEMS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ZAMBON GROUP S.p.A. (IT) 1993-05-19 EP disclosed