SCHEMBL9498764

SCHEMBL9498764

NC1CCCC1(C(=O)OCc1ccccc1)C(=O)[C@@H](O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 2/20 0.44
TRPM8 Q7Z2W7 1/20 0.44
ECE1 P42892 1/20 0.43
KDM1A O60341 10/20 0.41
MAOA P21397 8/20 0.41
RCOR1 Q9UKL0 3/20 0.41
KDM1B Q8NB78 1/20 0.41
MAOB P27338 2/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
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
ACE P12821 1/20 0.39

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
SCHEMBL9500835 0.92 ECE1 (0.41) CTRB1TRPM8ECE1KDM1AMAOA
SCHEMBL9500880 0.92 CYP3A4 (0.42) CTRB1TRPM8ECE1KDM1AMAOA
SCHEMBL9499459 0.92 CYP3A4 (0.42) CTRB1TRPM8ECE1KDM1AMAOA
SCHEMBL9502325 0.89 CYP3A4 (0.42) CTRB1TRPM8ECE1KDM1AMAOA
SCHEMBL9498809 0.86 CYP3A4 (0.43) TRPM8KDM1AMAOACYP3A4TSHR
SCHEMBL9499490 0.85 CYP3A4 (0.43) CTRB1TRPM8ECE1KDM1AMAOA
SCHEMBL9500504 0.81 CYP3A4 (0.47) TRPM8KDM1AMAOACYP3A4TSHR
SCHEMBL9633645 0.75 TRPM8 (0.60) CTRB1TRPM8ECE1CTSLCTSB
SCHEMBL9633246 0.75 TRPM8 (0.60) CTRB1TRPM8ECE1CTSLCTSB
SCHEMBL8545295 0.75 TRPM8 (0.60) CTRB1TRPM8ECE1CTSLCTSB

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