SCHEMBL8769019

SCHEMBL8769019

CCCCCCCC(NC(=O)Nc1ccccc1C)c1ccc(OC(C)(C)C(=O)OCC)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 1/20 0.47
PPARA Q07869 4/20 0.45
PPARG P37231 2/20 0.45
ABCB11 O95342 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
HTR2A P28223 1/20 0.42
PMP22 Q01453 1/20 0.42
ITGB1 P05556 2/20 0.38
ITGA4 P13612 2/20 0.38
ANPEP P15144 1/20 0.37
FBP1 P09467 1/20 0.37
GPR88 Q9GZN0 3/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
P2RX7 Q99572 2/20 0.36
PRSS1 P07477 1/20 0.36
CTSG P08311 1/20 0.36
CTRB1 P17538 1/20 0.36

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
SCHEMBL8767887 0.90 PPARA (0.43) PPARAPPARGABCB11CYP1A2CYP3A4
SCHEMBL8768132 0.90 PPARA (0.43) PPARAPPARGABCB11CYP1A2CYP3A4
SCHEMBL8767702 0.89 L3MBTL1 (0.45) UTS2RPPARAPPARGABCB11CYP1A2
SCHEMBL8768885 0.89 PPARA (0.41) UTS2RPPARAPPARGABCB11CYP1A2
SCHEMBL8768859 0.89 NPC1 (0.42) PPARAPPARGABCB11CYP1A2CYP3A4
SCHEMBL8767854 0.85 PPARA (0.41) UTS2RPPARAPPARGABCB11CYP1A2
SCHEMBL8768971 0.85 PPARA (0.41) UTS2RPPARAPPARGABCB11CYP1A2
SCHEMBL8767766 0.84 PPARA (0.39) UTS2RPPARAPPARGABCB11CYP1A2
SCHEMBL8768911 0.82 PPARA (0.48) UTS2RPPARAPPARGABCB11CYP1A2
SCHEMBL8769015 0.74 PPARA (0.49) PPARAPPARGABCB11CYP1A2CYP3A4

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 4 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
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