SCHEMBL9500824

SCHEMBL9500824

CSc1ccc(C[C@@H](NC(=O)OCc2ccccc2)[C@H](O)C(=O)NC2(C(=O)OCc3ccccc3)CCCC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSB P07858 3/20 0.43
CTSS P25774 3/20 0.43
CTSL P07711 3/20 0.43
TRPM8 Q7Z2W7 1/20 0.43
ECE1 P42892 1/20 0.41
TACR1 P25103 2/20 0.40
CTSK P43235 2/20 0.40
TACR2 P21452 1/20 0.39
CTRB1 P17538 2/20 0.39
CYP3A4 P08684 2/20 0.39
TSHR P16473 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
TOP2A P11388 1/20 0.39
TOP2B Q02880 1/20 0.39
CTSD P07339 1/20 0.39
APC P25054 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
SCHEMBL9498759 0.92 TRPM8 (0.47) CTSBCTSSCTSLTRPM8ECE1
SCHEMBL9500869 0.87 ALDH1A1 (0.45) CTSBCTSSCTSLTRPM8TACR1
SCHEMBL9499454 0.87 ALDH1A1 (0.45) CTSBCTSSCTSLTRPM8TACR1
SCHEMBL9502316 0.86 ALDH1A1 (0.44) CTSBCTSSCTSLTRPM8TACR1
SCHEMBL9498795 0.85 ALDH1A1 (0.45) CTSBCTSSCTSLTRPM8CTSK
SCHEMBL9500493 0.83 ALDH1A1 (0.46) CTSBCTSSCTSLTRPM8CTSK
SCHEMBL9512731 0.81 TRPM8 (0.54) CTSBCTSSCTSLTRPM8CTSK
SCHEMBL9502247 0.81 TRPM8 (0.54) CTSBCTSSCTSLTRPM8CTSK
SCHEMBL9634168 0.81 TRPM8 (0.58) CTSBCTSSCTSLTRPM8TACR1
SCHEMBL9499477 0.80 CYP3A4 (0.46) CTSBCTSSCTSLTRPM8TACR1

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