SCHEMBL31084129

SCHEMBL31084129

COC(=O)C(C)(C)OC(=O)C(C)(C)Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 10/20 0.69
CYP1A2 P05177 4/20 0.69
CYP3A4 P08684 4/20 0.69
PPARG P37231 3/20 0.69
CYP2C19 P33261 3/20 0.69
MAPT P10636 3/20 0.69
SMN1; SMN2 Q16637 3/20 0.69
HPGD P15428 2/20 0.69
ABCB11 O95342 2/20 0.69
TSHR P16473 2/20 0.69
HTR2A P28223 2/20 0.69
PMP22 Q01453 2/20 0.69
MEN1 O00255 2/20 0.69
KMT2A Q03164 2/20 0.69
CYP2C9 P11712 2/20 0.69
USP2 O75604 2/20 0.69
LMNA P02545 1/20 0.69
ADORA3 P0DMS8 1/20 0.69
ADRB3 P13945 1/20 0.69
CNR1 P21554 1/20 0.69

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
SCHEMBL4755987 0.94 PPARA (0.72) PPARACYP1A2CYP3A4PPARGCYP2C19
SCHEMBL2121452 0.87 PPARA (0.68) PPARACYP1A2CYP3A4PPARGCYP2C19
SCHEMBL31084128 0.86 PPARA (0.92) PPARACYP1A2CYP3A4PPARGCYP2C19
SCHEMBL31084127 0.86 PPARA (0.92) PPARACYP1A2CYP3A4PPARGCYP2C19
SCHEMBL21991231 0.82 PPARA (0.62) PPARACYP1A2CYP3A4PPARGCYP2C19
SCHEMBL11684008 0.82 PPARA (0.62) PPARACYP1A2CYP3A4PPARGCYP2C19
SCHEMBL31084130 0.82 PPARA (0.49) PPARACYP1A2CYP3A4PPARGCYP2C19
Fenofibrate SCHEMBL3876232 0.82 PPARA (1.00) PPARACYP1A2CYP3A4PPARGCYP2C19
Fenofibrate SCHEMBL4670 0.82 PPARA (1.00) PPARACYP1A2CYP3A4PPARGCYP2C19
SCHEMBL4755982 0.81 PPARA (0.70) PPARACYP1A2CYP3A4PPARGCYP2C19

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-118652173-B Synthesis method of fenofibrate impurity 广州佳途科技股份有限公司 2024-12-06 CN disclosed
CN-118652173-A Synthesis method of fenofibrate impurity 广州佳途科技股份有限公司 2024-09-17 CN disclosed