SCHEMBL6940776

SCHEMBL6940776

CCCc1[c]c(CCC)cc(C(=O)C(c2ccccc2)C(C)CC)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 6/20 0.43
PPARG P37231 5/20 0.43
CHRM2 P08172 2/20 0.42
CHRM4 P08173 2/20 0.42
CHRM1 P11229 2/20 0.42
CHRM3 P20309 2/20 0.42
CYP2D6 P10635 2/20 0.41
CHRM5 P08912 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
LMNA P02545 2/20 0.38
HSD17B10 Q99714 1/20 0.38
PGR P06401 1/20 0.37
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
HTR2A P28223 1/20 0.37
HRH1 P35367 1/20 0.37
KCNH2 Q12809 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL7207787 0.82 CHRM2 (0.43) PPARAPPARGCHRM2CHRM4CHRM1
SCHEMBL23872457 0.72 CYP2D6 (0.61) CHRM2CHRM4CHRM1CHRM3CYP2D6
SCHEMBL499471 0.72 CYP2D6 (0.61) CHRM2CHRM4CHRM1CHRM3CYP2D6
SCHEMBL4921518 0.72 CYP2D6 (0.61) CHRM2CHRM4CHRM1CHRM3CYP2D6
SCHEMBL10443302 0.70 CHRM2 (0.52) CHRM2CHRM4CHRM1CHRM3CYP2D6
SCHEMBL2644175 0.70 CHRM2 (0.52) CHRM2CHRM4CHRM1CHRM3CYP2D6
SCHEMBL7207786 0.68 CHRM2 (0.41) CHRM2CHRM4CHRM1CHRM3CYP2D6
SCHEMBL4964029 0.67 KMT2A (0.70) CHRM2CHRM4CHRM1CHRM3CYP2D6
SCHEMBL7527118 0.66 TDP1 (0.52) CYP2D6LMNAHSD17B10PGRADRA2A
SCHEMBL7211248 0.65 LMNA (0.57) LMNAHSD17B10SMN1; SMN2ALDH1A1GAA

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
JP-2003513909-A 2003-04-15 JP claimed
EP-1229907-A1 PREVENTION OF PLAQUE RUPTURE BY ACAT INHIBITORS WARNER-LAMBERT COMPANY (US) 2002-08-14 EP claimed
WO-2001034127-A1 PREVENTION OF PLAQUE RUPTURE BY ACAT INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-05-17 WO claimed