SCHEMBL11568562

SCHEMBL11568562

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

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 5/20 0.67
▸ ABCB11 O95342 1/20 0.67
▸ CYP1A2 P05177 1/20 0.67
▸ CYP3A4 P08684 1/20 0.67
▸ TSHR P16473 1/20 0.67
▸ HTR2A P28223 1/20 0.67
▸ PMP22 Q01453 1/20 0.67
▸ EPHX2 P34913 4/20 0.58
▸ LTA4H P09960 2/20 0.58
▸ ALDH1A1 P00352 3/20 0.56
▸ SMN1; SMN2 Q16637 2/20 0.56
▸ FABP2 P12104 1/20 0.56
▸ PPARG P37231 1/20 0.56
▸ PPARD Q03181 1/20 0.56
▸ OPRK1 P41145 1/20 0.52
▸ CA12 O43570 1/20 0.50
▸ CA1 P00915 1/20 0.50
▸ CA2 P00918 1/20 0.50
▸ CA9 Q16790 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.50

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
SCHEMBL11569976 0.91 PPARA (0.67) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL11571616 0.89 PPARA (0.64) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL11569135 0.89 PPARA (0.64) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL11571471 0.89 PPARA (0.70) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL11569476 0.89 PPARA (0.70) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL11708497 0.87 EPHX2 (0.56) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL11570807 0.86 PPARA (0.74) PPARACYP1A2CYP3A4EPHX2LTA4H
SCHEMBL11569011 0.86 PPARA (0.65) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL11570531 0.85 PPARA (0.64) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL11570049 0.85 PPARA (0.64) 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