SCHEMBL11569476

SCHEMBL11569476

CCOC(=O)C(C)(C)Oc1ccc(CNC(=O)Cc2ccc(Cl)cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 4/20 0.70
▸ ABCB11 O95342 1/20 0.70
▸ CYP1A2 P05177 1/20 0.70
▸ CYP3A4 P08684 1/20 0.70
▸ TSHR P16473 1/20 0.70
▸ HTR2A P28223 1/20 0.70
▸ PMP22 Q01453 1/20 0.70
▸ ALDH1A1 P00352 4/20 0.59
▸ NPC1 O15118 2/20 0.59
▸ MEN1 O00255 1/20 0.59
▸ RAB9A P51151 1/20 0.59
▸ KMT2A Q03164 1/20 0.59
▸ OPRK1 P41145 1/20 0.54
▸ POLB P06746 2/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ CA12 O43570 1/20 0.48
▸ CA1 P00915 1/20 0.48
▸ CA2 P00918 1/20 0.48
▸ CA9 Q16790 1/20 0.48

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
SCHEMBL11568562 0.89 PPARA (0.67) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL11569815 0.85 PPARA (0.93) PPARACYP1A2CYP3A4ALDH1A1NPC1
SCHEMBL11570972 0.84 PPARA (0.67) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL3581796 0.84 PPARA (0.73) PPARAALDH1A1NPC1MEN1RAB9A
Clofibrate SCHEMBL2356 0.83 PPARA (1.00) PPARAABCB11CYP1A2CYP3A4TSHR
Clofibrate SCHEMBL3953607 0.83 PPARA (1.00) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL11448788 0.83 PPARA (0.73) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL11074943 0.82 PPARA (0.86) PPARAABCB11CYP1A2CYP3A4TSHR
Hydrochloric Acid SCHEMBL11449417 0.82 PPARA (0.71) PPARAABCB11CYP1A2CYP3A4TSHR
Clofibrate SCHEMBL3345 0.82 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
US-4151303-A Phenoxyalkylcarboxylic acid compounds and serum-lipid and triglyceride depressing therapeutic compositions BOEHRINGER MANNHEIM GMBH (DE) 1979-04-24 — — US disclosed
Send feedback