SCHEMBL8526965

SCHEMBL8526965

CS(=O)(=O)OCC(Nc1ccccc1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 2/20 0.41
ITGA4 P13612 2/20 0.41
MMP2 P08253 2/20 0.40
MMP9 P14780 2/20 0.40
KEAP1 Q14145 2/20 0.38
PPARG P37231 1/20 0.37
MMP8 P22894 1/20 0.36
MMP12 P39900 1/20 0.36
MMP14 P50281 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ITGAV P06756 1/20 0.36
JAK3 P52333 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36

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
SCHEMBL26616888 0.80 MAPT (0.49) ITGB1ITGA4GAAMAPTMAPK1
SCHEMBL7561838 0.80 MAPT (0.49) ITGB1ITGA4GAAMAPTMAPK1
SCHEMBL18555414 0.78 ALDH1A1 (0.38) MMP2MMP9PPARGMAPTNPSR1
SCHEMBL2748097 0.78 ALDH1A1 (0.38) MMP2MMP9PPARGMAPTNPSR1
SCHEMBL2235690 0.78 ALDH1A1 (0.44) PPARGKDM4EGAAMAPTMAPK1
SCHEMBL27900644 0.78 ALDH1A1 (0.44) PPARGKDM4EGAAMAPTMAPK1
SCHEMBL4522437 0.76 KEAP1 (0.50) KEAP1PPARGKDM4EGAAMAPT
SCHEMBL4527204 0.76 KEAP1 (0.50) KEAP1PPARGKDM4EGAAMAPT
SCHEMBL8530526 0.76 MAPK1 (0.39) ITGB1ITGA4PPARGKDM4EGAA
SCHEMBL27744373 0.76 KEAP1 (0.50) KEAP1PPARGKDM4EGAAMAPT

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
US-5773284-A REACTING GLYCINE AMIDE WITH BENZALDEHYDE DSM N.V. (NL) 1998-06-30 US disclosed