SCHEMBL22497522

SCHEMBL22497522

O=C(NCc1ccccc1C(=O)O)OCc1cccc(C(F)(F)F)c1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.50
PTGDR2 Q9Y5Y4 1/20 0.50
PPARG P37231 1/20 0.48
PPARA Q07869 1/20 0.48
MMP1 P03956 1/20 0.48
MMP12 P39900 1/20 0.48
PRKCA P17252 1/20 0.48
PRKCD Q05655 1/20 0.48
KCNA5 P22460 1/20 0.48
LMNA P02545 1/20 0.47
MRGPRX4 Q96LA9 1/20 0.47
MAPK14 Q16539 1/20 0.47
TGM2 P21980 1/20 0.46
MGLL Q99685 1/20 0.46

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
SCHEMBL6989373 0.84 KCNA5 (0.57) KCNA5LMNA
SCHEMBL22497529 0.82 GRIK1 (0.59) NR4A2MMP1MMP12PRKCAPRKCD
SCHEMBL30279458 0.82 GRIK1 (0.59) NR4A2MMP1MMP12PRKCAPRKCD
SCHEMBL6647004 0.75 PRKCA (0.62) NR4A2PPARGPPARAMMP1MMP12
SCHEMBL23864576 0.74 KMT2A (0.66) LMNAMAPK14
SCHEMBL2453780 0.74 NR4A2 (0.62) NR4A2MRGPRX4
SCHEMBL2207411 0.74 KCNA5 (0.68) KCNA5LMNA
SCHEMBL22524917 0.74 PRKCA (0.55) MMP1MMP12PRKCAPRKCDMGLL
SCHEMBL3415287 0.73 PTGDR2 (0.64) PTGDR2PPARAMGLL
SCHEMBL6430890 0.73 CFD (0.69) MAPK14

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
WO-2020199945-A1 ORTHO-CARBONYL AMINO-SUBSTITUTED BENZENE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USE THEREOF 中国医学科学院药物研究所 2020-10-08 WO disclosed