SCHEMBL23935757

SCHEMBL23935757

COc1cc(CCC(=O)O)ccc1C(C)=O

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.54
OR51E2 Q9H255 1/20 0.54
PPARA Q07869 2/20 0.54
PPARG P37231 1/20 0.54
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
FFAR1 O14842 5/20 0.50
FFAR4 Q5NUL3 4/20 0.49
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
TSHR P16473 1/20 0.46
NFKB1 P19838 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
PLA2G4A P47712 1/20 0.46
TRPV1 Q8NER1 1/20 0.45

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
SCHEMBL23935649 0.88 PPARA (0.57) ALOX5OR51E2PPARAPPARGFFAR1
SCHEMBL7462460 0.86 FFAR4 (0.61) ALOX5OR51E2PPARAPPARGMEN1
SCHEMBL2561574 0.84 GAA (0.66) PPARAPPARGALDH1A1GAATSHR
SCHEMBL30854401 0.84 PPARA (0.54) ALOX5OR51E2PPARAPPARGMEN1
SCHEMBL347209 0.83 FFAR4 (0.61) ALOX5OR51E2MEN1KMT2AFFAR1
Hydrochloric Acid SCHEMBL3225386 0.82 FFAR4 (0.59) ALOX5OR51E2MEN1KMT2AFFAR1
SCHEMBL9345926 0.82 FFAR1 (0.50) FFAR1FFAR4
SCHEMBL3456074 0.81 GAA (0.55) ALOX5OR51E2PPARAPPARGMEN1
SCHEMBL3456072 0.81 GAA (0.55) ALOX5OR51E2PPARAPPARGMEN1
SCHEMBL17537957 0.81 POLB (0.54) ALOX5OR51E2PPARAFFAR1FFAR4

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
EP-3896056-A1 AMINO ACID HAVING FUNCTIONAL GROUP CAPABLE OF INTERMOLECULAR HYDROGEN BONDING, PEPTIDE COMPOUND CONTAINING SAME AND METHOD FOR PRODUCTION THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2021-10-20 EP disclosed