SCHEMBL1387707

SCHEMBL1387707

CC(C)(C)C(=O)Nc1c(F)cccc1Oc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 4/20 0.45
EPHX2 P34913 2/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
FAAH O00519 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
CYP19A1 P11511 1/20 0.42
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
P2RY14 Q15391 1/20 0.41
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
SCN8A Q9UQD0 1/20 0.40
SCN10A Q9Y5Y9 1/20 0.40
PDK1 Q15118 1/20 0.40
PDK2 Q15119 1/20 0.40

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
SCHEMBL8181897 0.90 LMNA (0.50) EPHX2LMNAPOLBNPC1RAB9A
SCHEMBL8187216 0.90 L3MBTL1 (0.50) P2RY1LMNAPOLBFAAHNPC1
SCHEMBL8670338 0.87 LMNA (0.41) LMNAPOLBFAAHRAB9ACYP19A1
SCHEMBL8173385 0.87 PYGL (0.47) LMNANPC1RAB9AMEN1GAA
SCHEMBL8182917 0.86 PYGL (0.46) LMNAPOLBCYP19A1MEN1KMT2A
SCHEMBL8187925 0.82 PDGFRA (0.45) LMNAPOLBFAAHNPC1RAB9A
SCHEMBL8670131 0.81 TLR7 (0.38) FAAHCYP19A1GAAKMT2A
SCHEMBL8183471 0.80 MMP1 (0.39) CYP19A1GAAKMT2A
SCHEMBL9022907 0.80 MMP1 (0.49) LMNAGAAKMT2ANPSR1
SCHEMBL8674944 0.80 PPARG (0.43) FAAHCYP19A1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6043284-A ACYL COENZYME A: CHOLESTEROL ACYLTRANSFERASE (ACAT) INHIBITORS GLAXO WELLCOME INC. (US) 2000-03-28 US claimed
JP-H08512046-A 1996-12-17 JP claimed
EP-0706508-A1 ANTI-ATHEROSCLEROTIC DIARYL COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1996-04-17 EP claimed
WO-1995001326-A1 ANTI-ATHEROSCLEROTIC DIARYL COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1995-01-12 WO claimed
US-6043284-A ACYL COENZYME A: CHOLESTEROL ACYLTRANSFERASE (ACAT) INHIBITORS GLAXO WELLCOME INC. (US) 2000-03-28 US disclosed
US-5776951-A ANTICHOLESTEROL AGENT GLAXO WELLCOME INC. (US) 1998-07-07 US disclosed
EP-0706508-A1 ANTI-ATHEROSCLEROTIC DIARYL COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1996-04-17 EP disclosed
WO-1995001326-A1 ANTI-ATHEROSCLEROTIC DIARYL COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1995-01-12 WO disclosed