SCHEMBL28709282

SCHEMBL28709282

CCOC(=O)C(C)(C)CCCc1ccccc1CCCCCC(C)(C)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.52
CYP4A11 Q02928 3/20 0.52
LTB4R Q15722 7/20 0.50
PPARA Q07869 5/20 0.43
PIN1 Q13526 1/20 0.40
PPARG P37231 1/20 0.39
ALDH1A1 P00352 1/20 0.39
RECQL P46063 1/20 0.39
MMP8 P22894 1/20 0.39

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
SCHEMBL31001655 0.96 CYP4F2 (0.49) CYP4F2CYP4A11LTB4RPPARAPIN1
SCHEMBL26018932 0.92 CYP4F2 (0.57) CYP4F2CYP4A11LTB4RPPARAPIN1
SCHEMBL29422928 0.90 CYP4F2 (0.54) CYP4F2CYP4A11PPARAPIN1PPARG
SCHEMBL22922053 0.90 CYP4F2 (0.54) CYP4F2CYP4A11PPARAPIN1PPARG
SCHEMBL25996671 0.86 CYP4F2 (0.51) CYP4F2CYP4A11LTB4RPPARAPIN1
SCHEMBL22921301 0.86 LTB4R (0.60) LTB4RPPARA
SCHEMBL22921511 0.86 LTB4R (0.60) LTB4RPPARA
SCHEMBL22921548 0.86 LTB4R (0.60) LTB4RPPARA
SCHEMBL25996444 0.86 LTB4R (0.60) LTB4RPPARA
SCHEMBL26067305 0.85 CYP4F2 (0.50) CYP4F2CYP4A11LTB4RPPARAPIN1

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-114126593-A Functionalized long chain hydrocarbon mono-and dicarboxylic acids useful for preventing or treating disease 埃斯佩尔维塔治疗股份有限公司 2022-03-01 CN disclosed