SCHEMBL8768980

SCHEMBL8768980

CCCCCCCN(Cc1ccc(OC(C)(C)C(=O)OCC)cc1)C(=O)Nc1ccc(OC)cc1OC

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 7/20 0.50
PPARG P37231 5/20 0.50
GAA P10253 1/20 0.49
HTT P42858 1/20 0.49
TSHR P16473 1/20 0.49
SOAT1 P35610 1/20 0.49
HDAC1 Q13547 3/20 0.47
HDAC6 Q9UBN7 3/20 0.47
HDAC3 O15379 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
LMNA P02545 1/20 0.47
PPARD Q03181 2/20 0.45
MAPT P10636 2/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
PKM P14618 1/20 0.41
CYP2C19 P33261 1/20 0.41
ALDH1A1 P00352 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
SCHEMBL8768099 0.93 TSHR (0.52) PPARAPPARGGAAHTTTSHR
SCHEMBL8925577 0.92 PPARA (0.60) PPARAPPARGGAAHTTTSHR
SCHEMBL8767877 0.90 HDAC6 (0.59) PPARAPPARGTSHRSOAT1HDAC1
SCHEMBL8767784 0.90 PPARA (0.61) PPARAPPARGGAAHTTTSHR
SCHEMBL8767727 0.90 PPARA (0.61) PPARAPPARGGAAHTTTSHR
SCHEMBL8768686 0.90 PPARA (0.61) PPARAPPARGGAAHTTTSHR
SCHEMBL8925426 0.90 PPARA (0.45) PPARAPPARGGAAHTTTSHR
SCHEMBL8925832 0.90 PPARA (0.43) PPARAPPARGGAAHTTTSHR
SCHEMBL8767679 0.89 PPARA (0.59) PPARAPPARGGAAHTTTSHR
SCHEMBL8768871 0.89 PPARA (0.46) PPARAPPARGGAAHTTTSHR

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