SCHEMBL6054565

SCHEMBL6054565

CN(C)C(=O)c1ccc(CSc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.44
NR1H4 Q96RI1 1/20 0.44
LMNA P02545 3/20 0.43
RECQL P46063 1/20 0.43
ALDH1A1 P00352 4/20 0.41
TSHR P16473 3/20 0.41
GAA P10253 1/20 0.41
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
ALOX15 P16050 2/20 0.41
MAPT P10636 2/20 0.41
HPN P05981 1/20 0.41
SIRT5 Q9NXA8 1/20 0.41
DRD2 P14416 1/20 0.39
TBXA2R P21731 1/20 0.39
VCAM1 P19320 4/20 0.38
ESRRG P62508 1/20 0.38
CYP3A4 P08684 3/20 0.37
CYP2C9 P11712 2/20 0.37
MEN1 O00255 2/20 0.37

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
SCHEMBL9362051 0.91 LMNA (0.43) EPHX2NR1H4LMNARECQLALDH1A1
SCHEMBL6054529 0.85 LMNA (0.49) LMNARECQLGAAHSP90AA1HSP90AB1
SCHEMBL9417705 0.85 ALDH1A1 (0.45) EPHX2NR1H4LMNAALDH1A1GAA
SCHEMBL8496233 0.84 MAPT (0.55) LMNAALDH1A1TSHRGAAALOX15
SCHEMBL6054514 0.84 ALDH1A1 (0.41) LMNARECQLALDH1A1TSHRGAA
SCHEMBL8698399 0.79 PTGS1 (0.49) LMNAALDH1A1TSHRGAAALOX15
SCHEMBL6054593 0.77 PTGS1 (0.50) LMNAALDH1A1TSHRGAAALOX15
SCHEMBL8843748 0.75 LMNA (0.66) LMNARECQLALDH1A1TSHRGAA
SCHEMBL8767800 0.74 PPARA (0.52) MAPTCYP3A4MEN1CYP1A2KMT2A
SCHEMBL6054536 0.74 MAPT (0.51) NR1H4ALDH1A1GAAMAPTVCAM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1137948-B1 METHODS AND COMPOSITIONS TO LOWER PLASMA CHOLESTEROL LEVELS ATHEROGENICS INC (US) 2006-05-10 EP disclosed