SCHEMBL24779267

SCHEMBL24779267

COC(=O)C(CSC(=O)c1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 9/20 0.54
PPARG P37231 8/20 0.54
PPARD Q03181 2/20 0.54
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
KLK5 Q9Y337 1/20 0.48
ALDH1A1 P00352 2/20 0.46
MAPT P10636 2/20 0.46
CTSS P25774 3/20 0.46
CTSK P43235 2/20 0.46
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
GSTP1 P09211 1/20 0.45
GSTM2 P28161 1/20 0.45
JAK3 P52333 1/20 0.45
BTK Q06187 1/20 0.45
ACE P12821 1/20 0.44

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
SCHEMBL28767088 1.00 PPARA (0.54) PPARAPPARGPPARDNFKB1NFKB2
SCHEMBL28767107 0.89 KLK5 (0.46) PPARAPPARGPPARDNFKB1NFKB2
SCHEMBL23154640 0.89 KLK5 (0.46) PPARAPPARGPPARDNFKB1NFKB2
SCHEMBL10503996 0.84 GPR139 (0.46) ALDH1A1
SCHEMBL10503368 0.84 GPR139 (0.46) ALDH1A1
SCHEMBL3862853 0.83 ALDH1A1 (0.66) PPARAPPARGPPARDNFKB1NFKB2
SCHEMBL3862851 0.83 ALDH1A1 (0.66) PPARAPPARGPPARDNFKB1NFKB2
SCHEMBL10131064 0.83 GAA (0.50) ALDH1A1CTSL
SCHEMBL2951876 0.82 NFKB1 (0.53) PPARAPPARGPPARDNFKB1NFKB2
SCHEMBL2948733 0.82 NFKB1 (0.53) PPARAPPARGPPARDNFKB1NFKB2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220396643-A1 NOVEL CROSSLINKED ALGINIC ACID STRUCTURE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2022-12-15 US disclosed
CN-114521199-A Novel cross-linked alginic acid structure 持田制药株式会社 2022-05-20 CN disclosed