SCHEMBL8768826

SCHEMBL8768826

CCCCCCCC(C)(C)N(Cc1ccc(OC(C)(C)C(=O)OCC)cc1)C(=O)Nc1c(F)cc(F)cc1OC

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 9/20 0.41
PPARG P37231 4/20 0.41
PPARD Q03181 1/20 0.38
CYP3A4 P08684 2/20 0.38
TSHR P16473 2/20 0.38
SOAT1 P35610 2/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
TP53 P04637 1/20 0.38
ALOX15 P16050 1/20 0.38
ACAT1 P24752 1/20 0.38
ABCB11 O95342 1/20 0.36
CYP1A2 P05177 1/20 0.36
HTR2A P28223 1/20 0.36
PMP22 Q01453 1/20 0.36
FBP1 P09467 2/20 0.35
HTT P42858 1/20 0.33
LPAR1 Q92633 1/20 0.33
LPAR5 Q9H1C0 1/20 0.33

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
SCHEMBL8768903 0.81 PPARA (0.51) PPARAPPARGPPARDCYP3A4TSHR
SCHEMBL8925468 0.77 PPARA (0.47) PPARAPPARGPPARDCYP3A4TSHR
SCHEMBL8768928 0.76 SOAT1 (0.44) PPARAPPARGPPARDCYP3A4SOAT1
SCHEMBL8768915 0.75 TSHR (0.42) PPARAPPARGPPARDCYP3A4TSHR
SCHEMBL8768990 0.73 PPARA (0.50) PPARAPPARGPPARDCYP3A4TSHR
SCHEMBL8926594 0.73 PPARA (0.52) PPARAPPARGPPARDCYP3A4TSHR
SCHEMBL8768641 0.72 PPARA (0.51) PPARAPPARGPPARDCYP3A4TSHR
SCHEMBL8768601 0.72 PPARG (0.70) PPARAPPARGPPARDSOAT1MAPT
SCHEMBL8924202 0.71 TSHR (0.47) PPARAPPARGPPARDCYP3A4TSHR
SCHEMBL8768980 0.71 PPARA (0.50) PPARAPPARGPPARDCYP3A4TSHR

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