SCHEMBL5997445

SCHEMBL5997445

CCOC(=O)C(C)(CC)Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.78
PPARA Q07869 8/20 0.65
CYP1A2 P05177 3/20 0.65
CYP3A4 P08684 3/20 0.65
ABCB11 O95342 2/20 0.65
TSHR P16473 2/20 0.65
HTR2A P28223 2/20 0.65
PMP22 Q01453 2/20 0.65
PPARG P37231 4/20 0.57
FABP2 P12104 1/20 0.57
SLC22A12 Q96S37 1/20 0.57
ELANE P08246 3/20 0.55
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
HPGD P15428 2/20 0.54
MAPT P10636 2/20 0.54
CYP2C19 P33261 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
USP2 O75604 1/20 0.54
LMNA P02545 1/20 0.54

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
SCHEMBL1935420 0.94 OPRK1 (0.86) OPRK1PPARACYP1A2CYP3A4ABCB11
SCHEMBL15392719 0.92 OPRK1 (0.66) OPRK1PPARACYP1A2CYP3A4ABCB11
Beclobrate SCHEMBL3950803 0.88 OPRK1 (1.00) OPRK1PPARACYP1A2CYP3A4ABCB11
Beclobrate SCHEMBL49779 0.88 OPRK1 (1.00) OPRK1PPARACYP1A2CYP3A4ABCB11
SCHEMBL12573936 0.87 PPARA (0.86) OPRK1PPARACYP1A2CYP3A4ABCB11
SCHEMBL7406839 0.83 OPRK1 (0.69) OPRK1PPARACYP1A2CYP3A4ABCB11
Fenofibric Acid SCHEMBL10966358 0.83 PPARA (0.77) OPRK1PPARACYP1A2CYP3A4ABCB11
SCHEMBL22238907 0.82 OPRK1 (0.68) OPRK1PPARACYP1A2CYP3A4ABCB11
SCHEMBL4874274 0.81 OPRK1 (0.66) OPRK1PPARACYP1A2CYP3A4ABCB11
SCHEMBL19183361 0.81 OPRK1 (0.66) OPRK1PPARACYP1A2CYP3A4ABCB11

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-2006107411-A2 FORMULATIONS CONTAINING FENOFIBRATE AND SURFACANT MIXTURE TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2006-10-12 WO disclosed