SCHEMBL8768856

SCHEMBL8768856

CCCCCCCN(Cc1ccc(OCC(C)(C)O)cc1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 1/20 0.52
PPARG P37231 4/20 0.46
PPARA Q07869 4/20 0.46
PPARD Q03181 2/20 0.40
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CNR2 P34972 1/20 0.39
RAB9A P51151 3/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPC1 O15118 1/20 0.37
HTT P42858 1/20 0.37
PAX8 Q06710 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 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
SCHEMBL9252264 0.86 SOAT1 (0.46) SOAT1PPARGPPARAALDH1A1LMNA
SCHEMBL9784546 0.79 SOAT1 (0.50) SOAT1PPARGPPARAALDH1A1KDM4E
SCHEMBL8768086 0.76 PPARA (0.61) SOAT1PPARGPPARAPPARDALDH1A1
SCHEMBL9577687 0.74 SOAT1 (0.75) SOAT1PPARGPPARAPPARD
SCHEMBL9256976 0.74 HDAC1 (0.46) SOAT1PPARGPPARACNR2NPC1
SCHEMBL8767844 0.73 PPARA (0.58) SOAT1PPARGPPARAPPARDHTT
SCHEMBL8768838 0.73 PPARA (0.48) SOAT1PPARGPPARAPPARDCNR2
SCHEMBL9784417 0.73 SOAT1 (0.46) SOAT1PPARAALDH1A1KDM4ERAB9A
SCHEMBL8768643 0.73 ALDH1A1 (0.46) SOAT1PPARGPPARAALDH1A1LMNA
SCHEMBL9784467 0.73 SOAT1 (0.53) SOAT1PPARGPPARAPPARDCNR2

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