SCHEMBL8924425

SCHEMBL8924425

CCCCCCCN(Cc1ccc(OC(C)(C)C(=O)OCC)cc1)C(=O)Nc1ccc(Cl)cc1OCc1ccc(C(C)(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 9/20 0.44
PPARG P37231 5/20 0.44
SOAT1 P35610 1/20 0.43
TSHR P16473 2/20 0.42
ABCB11 O95342 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
HTR2A P28223 1/20 0.42
PMP22 Q01453 1/20 0.42
PPARD Q03181 1/20 0.40
HDAC1 Q13547 3/20 0.38
HDAC6 Q9UBN7 3/20 0.38
HDAC3 O15379 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
CNR2 P34972 1/20 0.36
OPRK1 P41145 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
FBP1 P09467 1/20 0.34
CNR1 P21554 1/20 0.34

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
SCHEMBL8925426 0.92 PPARA (0.45) PPARAPPARGSOAT1TSHRPPARD
SCHEMBL8768759 0.92 PPARA (0.53) PPARAPPARGSOAT1PPARDHDAC1
SCHEMBL8768838 0.92 PPARA (0.48) PPARAPPARGSOAT1TSHRABCB11
SCHEMBL9260818 0.84 SOAT1 (0.43) PPARAPPARGSOAT1HDAC1HDAC6
SCHEMBL8768938 0.83 PPARA (0.54) PPARAPPARGSOAT1TSHRPPARD
SCHEMBL8925468 0.83 PPARA (0.47) PPARAPPARGSOAT1TSHRABCB11
SCHEMBL8767949 0.82 PPARA (0.46) PPARAPPARGSOAT1TSHRABCB11
SCHEMBL8768980 0.81 PPARA (0.50) PPARAPPARGSOAT1TSHRCYP3A4
SCHEMBL8924428 0.81 PPARA (0.42) PPARAPPARGTSHRABCB11CYP1A2
SCHEMBL8768812 0.81 PPARA (0.56) PPARAPPARGSOAT1TSHRABCB11

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5658944-A ANTICHOLESTEROL AGENTS THE UNIVERSITY OF SOUTH CAROLINA (US) 1997-08-19 US disclosed
EP-0639178-A1 ANTI-ATHEROSCLEROTIC ARYL COMPOUNDS. WELLCOME FOUND (GB) 1995-02-22 EP disclosed
WO-1992010468-A1 ANTI-ATHEROSCLEROTIC ARYL COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1992-06-25 WO disclosed