SCHEMBL9500871

SCHEMBL9500871

CS(=O)(=O)c1ccc(C[C@@H](N)[C@H](O)C(=O)C2(C(=O)O)CCCCC2N)cc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.42
F2 P00734 7/20 0.33
CTSC P53634 1/20 0.33
DPP4 P27487 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
KMT2A Q03164 1/20 0.33
ITGB1 P05556 3/20 0.32
ITGA4 P13612 3/20 0.32
KDM1A O60341 1/20 0.32
TBXA2R P21731 1/20 0.32
MME P08473 1/20 0.32
CCR5 P51681 1/20 0.32
LNPEP Q9UIQ6 1/20 0.32

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
SCHEMBL9500909 0.97 EPHX1 (0.40) EPHX1F2CTSCDPP4DPP7
SCHEMBL9500554 0.97 EPHX1 (0.40) EPHX1F2CTSCDPP4DPP7
SCHEMBL9498640 0.97 EPHX1 (0.40) EPHX1F2CTSCDPP4DPP7
SCHEMBL9500623 0.93 EPHX1 (0.39) EPHX1F2CTSCDPP4DPP7
SCHEMBL9500859 0.87 EPHX1 (0.39) EPHX1F2CTSCDPP4DPP7
SCHEMBL9498926 0.82 LAP3 (0.40) DPP4DPP7MME
SCHEMBL9499490 0.77 CYP3A4 (0.43) F2KMT2AKDM1A
SCHEMBL9498619 0.74 LAP3 (0.42) EPHX1CTSCITGB1ITGA4
SCHEMBL9500894 0.74 LAP3 (0.42) EPHX1CTSCITGB1ITGA4
SCHEMBL9500536 0.74 LAP3 (0.42) EPHX1CTSCITGB1ITGA4

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 3 patents. 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
US-5145872-A PEPTIDES WITH PHARMACEUTICAL ACTIVITY ZAMBON GROUP, S.P.A. (IT) 1992-09-08 US disclosed
EP-0333000-A2 Peptides with inhibitory activity of enzymatic systems, process for their preparation and pharmaceutical compositions containing them ZAMBON GROUP S.p.A. (IT) 1989-09-20 EP disclosed