SCHEMBL8768928

SCHEMBL8768928

CCCCCCCN(Cc1ccccc1OC(C)(C)C(=O)OCC)C(=O)Nc1c(F)cc(F)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 3/20 0.44
PPARA Q07869 6/20 0.42
PPARG P37231 5/20 0.42
ACHE P22303 2/20 0.41
PPARD Q03181 2/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
FBP1 P09467 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
SOAT2 O75908 2/20 0.37
EGFR P00533 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
SCHEMBL8767912 0.84 SOAT1 (0.48) SOAT1PPARAPPARGACHEPPARD
SCHEMBL8768903 0.80 PPARA (0.51) SOAT1PPARAPPARGPPARDCYP1A2
SCHEMBL8925558 0.77 PPARA (0.40) SOAT1PPARAPPARGACHEPPARD
SCHEMBL8768643 0.77 ALDH1A1 (0.46) SOAT1PPARAPPARGCYP1A2CYP3A4
SCHEMBL8925468 0.76 PPARA (0.47) SOAT1PPARAPPARGPPARDCYP1A2
SCHEMBL8768990 0.76 PPARA (0.50) SOAT1PPARAPPARGPPARDCYP1A2
SCHEMBL8768826 0.76 PPARA (0.41) SOAT1PPARAPPARGPPARDCYP1A2
SCHEMBL8768937 0.74 PPARA (0.41) SOAT1PPARAPPARGACHEPPARD
SCHEMBL8925673 0.74 HDAC1 (0.44) SOAT1PPARAPPARGACHEPPARD
SCHEMBL8767877 0.73 HDAC6 (0.59) SOAT1PPARAPPARGPPARDCYP1A2

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