SCHEMBL26426468

SCHEMBL26426468

NC(=O)[C@H](Cc1csc2ccccc12)NC(=O)CCC(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.54
MMP2 P08253 2/20 0.46
MMP8 P22894 2/20 0.46
MMP9 P14780 1/20 0.46
CTSL P07711 1/20 0.46
CTSS P25774 1/20 0.46
CTSK P43235 1/20 0.46
MMP12 P39900 2/20 0.46
MMP13 P45452 1/20 0.46
POLB P06746 1/20 0.46
TACR1 P25103 1/20 0.45
JUN P05412 1/20 0.44
MAPK8 P45983 1/20 0.44
MAPK9 P45984 1/20 0.44
CMA1 P23946 1/20 0.43
CYP2A6 P11509 2/20 0.42
TAAR1 Q96RJ0 1/20 0.42
TP53 P04637 2/20 0.41
MAPT P10636 1/20 0.41
PARP1 P09874 1/20 0.41

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
SCHEMBL6019669 0.82 CTSS (0.69) MMP2MMP8MMP9CTSLCTSS
SCHEMBL6019660 0.82 CTSS (0.69) MMP2MMP8MMP9CTSLCTSS
SCHEMBL6019664 0.81 CTSL (0.49) F10MMP2MMP8MMP9CTSL
SCHEMBL6020767 0.81 CTSL (0.54) F10MMP2MMP8MMP9CTSL
SCHEMBL6020780 0.80 CTSL (0.58) F10MMP2MMP8MMP9CTSL
SCHEMBL6020759 0.80 CTSL (0.58) F10MMP2MMP8MMP9CTSL
SCHEMBL760987 0.80 F10 (0.55) F10MMP2MMP8MMP9CTSL
SCHEMBL6020752 0.79 CTSL (0.50) F10MMP2MMP8MMP9CTSL
SCHEMBL26427643 0.79 HRH4 (0.48) MMP8MMP9TACR1PARP1PARP3
SCHEMBL4679436 0.77 F10 (0.51) F10MMP2MMP8MMP9CTSL

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-4170347-A1 GASTRIC INHIBITORY PEPTIDE RECEPTOR LIGANDS 3B Pharmaceuticals GmbH (DE) 2023-04-26 EP disclosed