SCHEMBL31001663

SCHEMBL31001663

CCOC(=O)C(C)(C)CCc1ccc(CCC(C)(C)C(=O)OCC)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.51
CYP4A11 Q02928 3/20 0.51
MMP8 P22894 1/20 0.43
PPARA Q07869 2/20 0.42
ABCB11 O95342 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
HTR2A P28223 1/20 0.42
PMP22 Q01453 1/20 0.42
OPRK1 P41145 1/20 0.42
PIN1 Q13526 1/20 0.41
KMT2A Q03164 2/20 0.41
GLA P06280 1/20 0.41
PPARG P37231 1/20 0.40
ALDH1A1 P00352 1/20 0.40
RECQL P46063 1/20 0.40
ELANE P08246 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC6 Q9UBN7 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
SCHEMBL11961981 0.92 SMN1; SMN2 (0.48) CYP4F2CYP4A11MMP8PPARAABCB11
SCHEMBL15419571 0.91 MMP8 (0.54) CYP4F2CYP4A11MMP8PPARAPIN1
SCHEMBL22922179 0.89 CYP4F2 (0.57) CYP4F2CYP4A11MMP8PPARAABCB11
SCHEMBL22922062 0.88 CYP4F2 (0.60) CYP4F2CYP4A11MMP8PPARAABCB11
SCHEMBL28708012 0.87 CYP4F2 (0.51) CYP4F2CYP4A11MMP8PPARACYP1A2
SCHEMBL11961984 0.82 LIPG (0.54) CYP4F2CYP4A11
SCHEMBL11860437 0.82 CYP4F2 (0.53) CYP4F2CYP4A11MMP8PPARAPIN1
SCHEMBL589181 0.80 SMN1; SMN2 (0.49) CYP4F2CYP4A11MMP8PPARAABCB11
SCHEMBL2021436 0.80 CYP4F2 (0.67) CYP4F2CYP4A11MMP8PPARAABCB11
SCHEMBL28692764 0.79 CYP4F2 (0.50) CYP4F2CYP4A11MMP8PPARAABCB11

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-118903087-A Functionalized long chain hydrocarbon mono-and dicarboxylic acids useful in the prevention or treatment of disease 埃斯佩尔维塔治疗股份有限公司 2024-11-08 CN disclosed
CN-114126593-B Functionalized long chain hydrocarbon mono-and dicarboxylic acids useful in the prevention or treatment of disease 埃斯佩尔维塔治疗股份有限公司 2024-07-26 CN disclosed