SCHEMBL8768838

SCHEMBL8768838

CCCCCCCN(Cc1ccc(OC(C)(C)C(=O)OCC)cc1)C(=O)Nc1ccc(Cl)cc1OCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 11/20 0.48
PPARG P37231 6/20 0.48
TSHR P16473 2/20 0.47
ABCB11 O95342 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
HTR2A P28223 1/20 0.47
PMP22 Q01453 1/20 0.47
SOAT1 P35610 1/20 0.47
PPARD Q03181 3/20 0.43
HDAC1 Q13547 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
HDAC3 O15379 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
CNR2 P34972 1/20 0.40
OPRK1 P41145 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
FBP1 P09467 1/20 0.38
CNR1 P21554 1/20 0.37

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
SCHEMBL8924425 0.92 PPARA (0.44) PPARAPPARGTSHRABCB11CYP1A2
SCHEMBL8768932 0.88 HDAC6 (0.50) PPARAPPARGTSHRABCB11CYP1A2
SCHEMBL8768702 0.88 PPARA (0.44) PPARAPPARGTSHRABCB11CYP1A2
SCHEMBL8767949 0.86 PPARA (0.46) PPARAPPARGTSHRABCB11CYP1A2
SCHEMBL8768980 0.86 PPARA (0.50) PPARAPPARGTSHRCYP3A4SOAT1
SCHEMBL8768812 0.85 PPARA (0.56) PPARAPPARGTSHRABCB11CYP1A2
SCHEMBL8768869 0.85 PPARA (0.56) PPARAPPARGTSHRABCB11CYP1A2
SCHEMBL8767844 0.84 PPARA (0.58) PPARAPPARGTSHRSOAT1PPARD
SCHEMBL8768902 0.84 PPARA (0.48) PPARAPPARGTSHRABCB11CYP1A2
SCHEMBL8768649 0.84 PPARA (0.48) PPARAPPARGTSHRABCB11CYP1A2

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
EP-0639178-B1 ANTI-ATHEROSCLEROTIC ARYL COMPOUNDS WELLCOME FOUND (GB) 1997-09-03 EP disclosed
US-5658944-A ANTICHOLESTEROL AGENTS THE UNIVERSITY OF SOUTH CAROLINA (US) 1997-08-19 US disclosed