SCHEMBL8769000

SCHEMBL8769000

CCCCCCCC(NC(=O)Nc1c(Cl)cc(Cl)cc1Cl)c1ccc(OC(C)(C)C(=O)O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 3/20 0.44
PSEN2 P49810 3/20 0.44
APH1B Q8WW43 3/20 0.44
NCSTN Q92542 3/20 0.44
APH1A Q96BI3 3/20 0.44
PSENEN Q9NZ42 3/20 0.44
PPARA Q07869 9/20 0.42
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
PPARG P37231 6/20 0.41
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
UTS2R Q9UKP6 4/20 0.39
FABP2 P12104 2/20 0.38
SLC22A12 Q96S37 1/20 0.38

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
SCHEMBL8768911 0.90 PPARA (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8768119 0.84 MAPT (0.48) CYP3A4MAPTALDH1A1
SCHEMBL9111522 0.80 ALDH1A1 (0.54) MEN1MAPTKMT2ATAS1R3TAS1R1
SCHEMBL1305271 0.75 CA1 (0.58) PPARAMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL8768666 0.74 PPARA (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8767856 0.73 PPARA (0.68) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8769019 0.71 UTS2R (0.47) PPARAMEN1CYP1A2CYP3A4KMT2A
SCHEMBL8767854 0.70 PPARA (0.41) PPARACYP1A2CYP3A4MAPTPPARG
SCHEMBL8767702 0.70 L3MBTL1 (0.45) PPARACYP1A2CYP3A4MAPTPPARG
SCHEMBL8768132 0.69 PPARA (0.43) PPARACYP1A2CYP3A4PPARGALDH1A1

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 5 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 claimed
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