SCHEMBL29930767

SCHEMBL29930767

O=C(O)CCc1ccc(OCCc2cccc3c2[nH]c2ccccc23)cc1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 18/20 0.59
AKR1B1 P15121 2/20 0.56
FFAR4 Q5NUL3 7/20 0.49
LMNA P02545 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
PPARG P37231 1/20 0.46
PPARD Q03181 1/20 0.46
PPARA Q07869 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
SCHEMBL573807 0.83 KDM4E (0.54)
SCHEMBL1744703 0.81 FFAR1 (0.79) FFAR1AKR1B1FFAR4LMNAL3MBTL1
SCHEMBL29930486 0.80 MCL1 (0.43)
SCHEMBL29930415 0.79 MCL1 (0.43)
SCHEMBL6601297 0.78 EGFR (0.55)
SCHEMBL1720631 0.76 PPARG (0.63) PPARGPPARA
SCHEMBL1720625 0.76 PPARG (0.63) PPARGPPARA
SCHEMBL1745370 0.76 FFAR1 (1.00) FFAR1AKR1B1FFAR4LMNAL3MBTL1
SCHEMBL6419187 0.75 EGFR (0.49) L3MBTL1
SCHEMBL4673598 0.75 PPARG (0.39) PPARGPPARDPPARA

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-112479977-B Substituted phenylpropionic acid compound enantiomer, and preparation method, composition and application thereof 深圳微芯生物科技股份有限公司 2022-07-19 CN disclosed
CN-112479977-B Substituted phenylpropionic acid compound enantiomer, and preparation method, composition and application thereof 深圳微芯生物科技股份有限公司 2022-07-19 CN disclosed