SCHEMBL28435271

SCHEMBL28435271

CC(C)(C)OC(=O)NC(CSCCOS(C)(=O)=O)C(=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 8/20 0.52
PPARG P37231 7/20 0.52
PPARD Q03181 2/20 0.48
SYK P43405 1/20 0.47
ALDH1A1 P00352 3/20 0.45
MAPT P10636 3/20 0.45
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.45
PKM P14618 1/20 0.45
HPGD P15428 1/20 0.45
ALOX12 P18054 1/20 0.45
CTSS P25774 3/20 0.45
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTT P42858 1/20 0.43
CACNA1B Q00975 2/20 0.43
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
CTSK P43235 1/20 0.43

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
SCHEMBL28435270 1.00 PPARA (0.52) PPARAPPARGPPARDSYKALDH1A1
SCHEMBL2856553 0.86 PPARA (0.51) PPARAPPARGSYKMAPTCTSS
SCHEMBL6775947 0.86 PPARA (0.51) PPARAPPARGSYKMAPTCTSS
SCHEMBL28433139 0.85 PPARA (0.57) PPARAPPARGPPARDSYKALDH1A1
SCHEMBL28433137 0.85 PPARA (0.57) PPARAPPARGPPARDSYKALDH1A1
SCHEMBL8592181 0.85 CTSK (0.49) PPARAPPARGSYKMAPTCTSS
SCHEMBL8592186 0.85 CTSK (0.49) PPARAPPARGSYKMAPTCTSS
SCHEMBL28434918 0.84 PPARA (0.56) PPARAPPARGPPARDSYKALDH1A1
SCHEMBL28430595 0.84 PPARA (0.56) PPARAPPARGPPARDSYKALDH1A1
SCHEMBL1429859 0.82 PPARA (0.54) PPARAPPARGPPARDSYKMAPT

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
CN-111484543-B Lipopeptide TLR2 agonist and medicinal composition and application thereof 复旦大学 2023-03-28 CN disclosed
CN-111484543-A Lipopeptide T L R2 agonist and medicinal composition and application thereof 复旦大学 2020-08-04 CN disclosed