SCHEMBL9500554

SCHEMBL9500554

CS(=O)(=O)c1ccc(C[C@H](N)[C@H](O)C(=O)C2(C(=O)O)CCCC2N)cc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.40
DPP4 P27487 2/20 0.33
DPP7 Q9UHL4 2/20 0.33
KDM1A O60341 1/20 0.33
CTSC P53634 3/20 0.32
F2 P00734 4/20 0.32
LTA4H P09960 1/20 0.32
GRM4 Q14833 1/20 0.32
PTGS2 P35354 1/20 0.32
LAP3 P28838 2/20 0.31
ANPEP P15144 1/20 0.31
RNPEP Q9H4A4 1/20 0.31
DNPEP Q9ULA0 1/20 0.31
KMT2A Q03164 1/20 0.31
TBXA2R P21731 1/20 0.31

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
SCHEMBL9498640 1.00 EPHX1 (0.40) EPHX1DPP4DPP7KDM1ACTSC
SCHEMBL9500909 1.00 EPHX1 (0.40) EPHX1DPP4DPP7KDM1ACTSC
SCHEMBL9500871 0.97 EPHX1 (0.42) EPHX1DPP4DPP7KDM1ACTSC
SCHEMBL9500623 0.94 EPHX1 (0.39) EPHX1DPP4DPP7KDM1ACTSC
SCHEMBL9500859 0.88 EPHX1 (0.39) EPHX1DPP4DPP7KDM1ACTSC
SCHEMBL9498926 0.86 LAP3 (0.40) DPP4DPP7LTA4HLAP3ANPEP
SCHEMBL9499490 0.80 CYP3A4 (0.43) KDM1AF2KMT2A
SCHEMBL9500880 0.73 CYP3A4 (0.42) KDM1AF2KMT2A
SCHEMBL9499459 0.73 CYP3A4 (0.42) KDM1AF2KMT2A
SCHEMBL9500612 0.73 LAP3 (0.42) EPHX1CTSCLTA4HGRM4PTGS2

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