SCHEMBL8768971

SCHEMBL8768971

CCCCCCCC(NC(=O)Nc1cccc2c1-c1ccccc1C2)c1ccc(OC(C)(C)C(=O)OCC)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.41
PPARG P37231 3/20 0.41
TSHR P16473 2/20 0.36
ABCB11 O95342 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
HTR2A P28223 1/20 0.36
PMP22 Q01453 1/20 0.36
UTS2R Q9UKP6 1/20 0.34
KDM4E B2RXH2 4/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GPR88 Q9GZN0 3/20 0.32
ALDH1A1 P00352 2/20 0.32
FBP1 P09467 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PRSS1 P07477 1/20 0.32
CTSG P08311 1/20 0.32
CTRB1 P17538 1/20 0.32
CMA1 P23946 1/20 0.32

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
SCHEMBL8769019 0.85 UTS2R (0.47) PPARAPPARGTSHRABCB11CYP1A2
SCHEMBL8768132 0.83 PPARA (0.43) PPARAPPARGTSHRABCB11CYP1A2
SCHEMBL8767887 0.83 PPARA (0.43) PPARAPPARGTSHRABCB11CYP1A2
SCHEMBL8768859 0.81 NPC1 (0.42) PPARAPPARGTSHRABCB11CYP1A2
SCHEMBL8767702 0.81 L3MBTL1 (0.45) PPARAPPARGTSHRABCB11CYP1A2
SCHEMBL8768885 0.81 PPARA (0.41) PPARAPPARGTSHRABCB11CYP1A2
SCHEMBL8767854 0.79 PPARA (0.41) PPARAPPARGTSHRABCB11CYP1A2
SCHEMBL8924986 0.78 PPARA (0.44) PPARAPPARGTSHRABCB11CYP1A2
SCHEMBL8768673 0.78 MAPK1 (0.44) PPARAPPARG
SCHEMBL8767766 0.77 PPARA (0.39) 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 1 patent. 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