SCHEMBL8768119

SCHEMBL8768119

CCCCCCCC(NC(=O)Nc1c(OC)cc(OC)cc1OC)c1ccc(OC(C)(C)C(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.48
TSHR P16473 2/20 0.48
KDM4E B2RXH2 1/20 0.48
TP53 P04637 1/20 0.48
CYP3A4 P08684 1/20 0.48
ALOX15 P16050 1/20 0.48
ACAT1 P24752 1/20 0.48
SOAT1 P35610 1/20 0.48
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL9111522 0.90 ALDH1A1 (0.54) MAPTTSHRALDH1A1
SCHEMBL8769000 0.84 PSEN1 (0.44) MAPTCYP3A4ALDH1A1
SCHEMBL8768174 0.77 ALDH1A1 (0.56) MAPTTSHRKDM4EALDH1A1
SCHEMBL9108722 0.76 MAPT (0.51) MAPTTSHRKDM4ETP53CYP3A4
SCHEMBL8767887 0.76 PPARA (0.43) MAPTTSHRKDM4ECYP3A4ALDH1A1
SCHEMBL8768911 0.75 PPARA (0.48) TSHRCYP3A4ALDH1A1
SCHEMBL8768112 0.74 PPARA (0.56) MAPTTSHRKDM4ETP53CYP3A4
SCHEMBL8768851 0.73 PPARA (0.67) MAPTTSHRKDM4ETP53CYP3A4
SCHEMBL8856463 0.72 KDM4E (0.63) MAPTTSHRKDM4ETP53CYP3A4
SCHEMBL8856424 0.71 KDM4E (0.63) MAPTTSHRKDM4ETP53CYP3A4

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 2 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