SCHEMBL14931928

SCHEMBL14931928

COc1cc(CCC(=O)O)ccc1N

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.59
FFAR1 O14842 6/20 0.55
ALOX5 P09917 2/20 0.51
OR51E2 Q9H255 1/20 0.51
FFAR4 Q5NUL3 3/20 0.50
MET P08581 1/20 0.48
TSHR P16473 2/20 0.47
GAA P10253 1/20 0.47
NFKB1 P19838 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
PLA2G4A P47712 1/20 0.46
PPARA Q07869 1/20 0.46
CYP19A1 P11511 1/20 0.46
MAPK1 P28482 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
TRPV1 Q8NER1 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
SCHEMBL7398838 0.87 GAA (0.59) ALDH1A1FFAR1ALOX5OR51E2FFAR4
SCHEMBL5613276 0.87 ALDH1A1 (0.59) ALDH1A1ALOX5OR51E2METTSHR
SCHEMBL7283109 0.86 ALDH1A1 (0.57) ALDH1A1ALOX5OR51E2METTSHR
SCHEMBL347209 0.85 FFAR4 (0.61) ALDH1A1FFAR1ALOX5OR51E2FFAR4
Hydrochloric Acid SCHEMBL3225386 0.83 FFAR4 (0.59) ALDH1A1FFAR1ALOX5OR51E2FFAR4
SCHEMBL2729248 0.83 GAA (0.68) ALDH1A1TSHRGAANFKB1TDP1
SCHEMBL9516946 0.82 ALDH1A1 (0.77) ALDH1A1TSHRGAATDP1CYP19A1
SCHEMBL17537957 0.82 POLB (0.54) ALDH1A1FFAR1ALOX5OR51E2FFAR4
SCHEMBL3677143 0.82 FFAR1 (0.56) ALDH1A1FFAR1ALOX5OR51E2FFAR4
Dihydroferulic Acid SCHEMBL30210940 0.82 ALOX5 (0.74) ALDH1A1ALOX5OR51E2TSHRGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021065307-A1 ANGIOTENSIN-CONVERTING ENZYME INHIBITOR, BLOOD PRESSURE-LOWERING AGENT, AND BEVERAGES AND FOOD PRODUCTS 丸善製薬株式会社 2021-04-08 WO disclosed
CN-107973791-B Fused or tricyclic aryl pyrimidine compounds as kinase inhibitors 南京圣和药业股份有限公司 2020-04-07 CN disclosed
CN-107614503-B Fused or tricyclic aryl pyrimidine compounds as kinase inhibitors 广东众生药业股份有限公司 2020-03-10 CN disclosed
EP-2310371-B1 PPAR AGONIST COMPOUNDS AND PREPARATION AND USES THEREOF FOR TREATING DIABETES AND/OR DYSLIPIDEMIA GENFIT (FR) 2013-05-15 EP disclosed