SCHEMBL28969068

SCHEMBL28969068

N=C(N)C[C@H](NC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.55
PPARG P37231 1/20 0.55
CASP1 P29466 4/20 0.52
ITGB3 P05106 4/20 0.52
ITGA2B P08514 4/20 0.52
MME P08473 1/20 0.52
ECE1 P42892 1/20 0.52
CTSK P43235 2/20 0.51
TACR1 P25103 2/20 0.51

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
SCHEMBL28969071 1.00 PPARA (0.55) PPARAPPARGCASP1ITGB3ITGA2B
SCHEMBL3569541 0.89 MME (0.62) PPARAPPARGCASP1ITGB3ITGA2B
SCHEMBL1491365 0.89 MME (0.62) PPARAPPARGCASP1ITGB3ITGA2B
SCHEMBL722757 0.89 MME (0.62) PPARAPPARGCASP1ITGB3ITGA2B
SCHEMBL8760740 0.87 PPARA (0.56) PPARAPPARGCASP1ITGB3ITGA2B
SCHEMBL613386 0.85 CASP1 (0.67) PPARAPPARGCASP1MMEECE1
SCHEMBL554032 0.85 CASP1 (0.67) PPARAPPARGCASP1MMEECE1
SCHEMBL376886 0.85 CASP1 (0.67) PPARAPPARGCASP1MMEECE1
SCHEMBL25022027 0.85 SYK (0.54) PPARAPPARGCASP1CTSK
SCHEMBL2912589 0.84 CASP1 (0.60) PPARAPPARGCASP1CTSKTACR1

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
CN-115666553-A TLR2 modulator compounds, and pharmaceutical compositions and uses thereof 轴向治疗公司 2023-01-31 CN disclosed