SCHEMBL28836239

SCHEMBL28836239

C=CCOC(=O)NC(COCc1ccccc1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.57
FOLH1 Q04609 1/20 0.55
CASP1 P29466 11/20 0.54
PPARG P37231 1/20 0.52
ALDH1A1 P00352 1/20 0.50
MME P08473 1/20 0.49
CTSS P25774 2/20 0.46
CTSL P07711 1/20 0.46
CTSK P43235 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
SCHEMBL13613766 1.00 PPARA (0.57) PPARAFOLH1CASP1PPARGALDH1A1
SCHEMBL24448342 0.90 PPARA (0.51) PPARAFOLH1CASP1PPARGCTSS
SCHEMBL8202407 0.90 PPARA (0.51) PPARAFOLH1CASP1PPARGCTSS
SCHEMBL28595041 0.86 PPARA (0.64) PPARAFOLH1CASP1PPARGALDH1A1
SCHEMBL1171673 0.86 PPARA (0.64) PPARAFOLH1CASP1PPARGALDH1A1
SCHEMBL1024175 0.86 PPARA (0.64) PPARAFOLH1CASP1PPARGALDH1A1
SCHEMBL27474758 0.86 CASP1 (0.49) PPARAFOLH1CASP1ALDH1A1CTSS
SCHEMBL27490859 0.85 CASP1 (0.48) CASP1ALDH1A1CTSSCTSLCTSK
SCHEMBL10884777 0.84 ALDH1A1 (0.63) CASP1ALDH1A1MME
SCHEMBL2977396 0.84 ALDH1A1 (0.63) CASP1ALDH1A1MME

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-115053184-A Composition for forming EUV resist underlayer film 日产化学株式会社 2022-09-13 CN disclosed