SCHEMBL30375642

SCHEMBL30375642

CCCCCc1cccc(C(C(=O)O)C(=O)O)c1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 5/20 0.52
PPARG P37231 3/20 0.52
LPL P06858 2/20 0.50
LIPG Q9Y5X9 2/20 0.50
CYSLTR2 Q9NS75 2/20 0.48
CYSLTR1 Q9Y271 2/20 0.48
KAT8 Q9H7Z6 2/20 0.47
ALDH1A1 P00352 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
SCHEMBL290381 0.86 PPARA (0.51) PPARAPPARGLPLLIPGCYSLTR2
SCHEMBL289355 0.85 PPARA (0.50) PPARAPPARGLPLLIPGCYSLTR2
SCHEMBL11498518 0.85 PPARA (0.50) PPARAPPARGLPLLIPGCYSLTR2
SCHEMBL16050558 0.85 PPARA (0.50) PPARAPPARGLPLLIPGCYSLTR2
SCHEMBL290161 0.84 PPARA (0.49) PPARAPPARGLPLLIPGCYSLTR2
SCHEMBL28025268 0.82 PPARA (0.48) PPARAPPARGLPLLIPGCYSLTR2
SCHEMBL11488242 0.81 LMNA (0.47) PPARAPPARGLPLLIPGCYSLTR2
SCHEMBL11451021 0.81 LMNA (0.47) PPARAPPARGLPLLIPGCYSLTR2
SCHEMBL17571629 0.80 PPARA (0.46) PPARAPPARGLPLLIPGCYSLTR2
SCHEMBL8463759 0.80 ALDH1A1 (0.61) CYSLTR2CYSLTR1ALDH1A1

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-116102423-A Method for preparing (3-pentylphenyl) acetic acid 济南明微医药科技有限公司 2023-05-12 CN disclosed