SCHEMBL8129258

SCHEMBL8129258

CCCCCC(CC(=O)O)c1ccc(OCCCOCC)cc1OC

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.43
PLA2G4B P0C869 5/20 0.41
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
TSHR P16473 1/20 0.41
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
MMP13 P45452 1/20 0.40
PPARG P37231 2/20 0.39
PPARA Q07869 2/20 0.39
ALOX5 P09917 1/20 0.39
CYSLTR2 Q9NS75 1/20 0.39
CYSLTR1 Q9Y271 1/20 0.39
PTGES O14684 1/20 0.39
APP P05067 1/20 0.39
S1PR1 P21453 1/20 0.38
S1PR3 Q99500 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 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
SCHEMBL8130408 0.91 THRA (0.43) FFAR1PLA2G4BTHRATHRBTSHR
SCHEMBL8120029 0.91 FFAR1 (0.47) FFAR1PLA2G4BTHRATHRBTSHR
SCHEMBL8136073 0.88 PPARG (0.43) FFAR1PLA2G4BTHRATHRBTSHR
SCHEMBL8119916 0.86 CYSLTR2 (0.45) FFAR1MMP9CYSLTR2CYSLTR1
SCHEMBL8132595 0.85 FFAR1 (0.40) FFAR1PLA2G4BTHRATHRBTSHR
SCHEMBL8126572 0.85 CYSLTR2 (0.47) FFAR1TSHRMMP9MMP13CYSLTR2
SCHEMBL8428047 0.84 PLA2G4B (0.44) PLA2G4BTHRATHRBTSHRPPARG
SCHEMBL8119424 0.83 FFAR1 (0.40) FFAR1TSHRMMP9CYSLTR2CYSLTR1
SCHEMBL8136349 0.83 FFAR1 (0.50) FFAR1
SCHEMBL8119415 0.83 FFAR1 (0.38) FFAR1PLA2G4BTHRATHRBTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0763524-B1 Urea and amide derivatives having ACAT inhibitory activity, their preparation and their therapeutic and prophylactic use SANKYO CO (JP) 2000-08-23 EP disclosed
US-6040339-A TREATMENT AND PROPHYLAXIS OF HYPERCHOLESTEREMIA OR ARTERIOSCLEROSIS IN A MAMMAL SANKYO COMPANY, LIMITED (JP) 2000-03-21 US disclosed
EP-0763524-A1 Urea and amide derivatives having ACAT inhibitory activity, their preparation and their therapeutic and prophylactic use SANKYO COMPANY LIMITED (JP) 1997-03-19 EP disclosed