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Clofibrate

Clofibrate

SCHEMBL8015285

CCOC(=O)C(C)(C)Oc1ccc(Br)cc1.CCOC(=O)C(C)(C)Oc1ccc(Cl)cc1.CCOC(=O)C(C)(C)Oc1ccc(I)cc1.CCOC(=O)C(C)(C)Oc1cccc(Cl)c1.CCOC(=O)C(C)(C)Oc1ccccc1Cl

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

PPARA

The experimentally established mechanism targets of Clofibrate. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PPARA known ✓ Q07869 6/20 0.54
▸ ABCB11 O95342 1/20 0.54
▸ CYP1A2 P05177 1/20 0.54
▸ CYP3A4 P08684 1/20 0.54
▸ TSHR P16473 1/20 0.54
▸ HTR2A P28223 1/20 0.54
▸ PMP22 Q01453 1/20 0.54
▸ CNR1 P21554 4/20 0.45
▸ PPARG P37231 2/20 0.41
▸ FBP1 P09467 8/20 0.40
▸ OPRK1 P41145 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ CNR2 P34972 1/20 0.38

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
Clofibrate SCHEMBL6900545 0.91 PPARA (0.65) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL4422408 0.78 PPARA (0.68) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL4423002 0.76 PPARA (0.59) PPARAABCB11CYP1A2CYP3A4TSHR
Clofibrate SCHEMBL28086141 0.73 PPARA (0.94) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL1154731 0.73 PPARA (0.71) PPARAABCB11CYP1A2CYP3A4TSHR
Clofibrate SCHEMBL2356 0.73 PPARA (1.00) PPARAABCB11CYP1A2CYP3A4TSHR
Clofibrate SCHEMBL3953607 0.73 PPARA (1.00) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL4426376 0.73 PPARA (0.71) PPARAABCB11CYP1A2CYP3A4TSHR
Clofibrate SCHEMBL11180679 0.72 PPARA (0.97) PPARAABCB11CYP1A2CYP3A4TSHR
Clofibrate SCHEMBL11187010 0.72 PPARA (0.97) PPARAABCB11CYP1A2CYP3A4TSHR

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
WO-2000049992-A2 USE OF FXR, PPARα AND LXRα ACTIVATORS TO TREAT ACNE/ACNEIFORM CONDITIONS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2000-08-31 — — WO disclosed