SCHEMBL9499459

SCHEMBL9499459

CS(=O)(=O)c1ccc(C[C@H](NC(=O)OCc2ccccc2)[C@@H](O)C(=O)C2(C(=O)OCc3ccccc3)CCCC2N)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.42
ALDH1A1 P00352 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SPPL2A Q8TCT8 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.40
ECE1 P42892 1/20 0.39
CA5A P35218 2/20 0.39
CA2 P00918 1/20 0.39
F2 P00734 1/20 0.39
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
CA4 P22748 1/20 0.38
TSHR P16473 2/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL9500880 1.00 CYP3A4 (0.42) CYP3A4ALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL9502325 0.98 CYP3A4 (0.42) CYP3A4ALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL9498809 0.95 CYP3A4 (0.43) CYP3A4ALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL9499490 0.94 CYP3A4 (0.43) CYP3A4ALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL9498764 0.92 CTRB1 (0.44) CYP3A4ALDH1A1MAPTTRPM8ECE1
SCHEMBL9500504 0.91 CYP3A4 (0.47) CYP3A4ALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL9500835 0.88 ECE1 (0.41) CYP3A4ALDH1A1MAPTSMN1; SMN2TRPM8
SCHEMBL9633578 0.80 TRPM8 (0.52) CYP3A4ALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL9499454 0.79 ALDH1A1 (0.45) CYP3A4ALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL9500869 0.79 ALDH1A1 (0.45) CYP3A4ALDH1A1CYP1A2CYP2D6CYP2C9

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