SCHEMBL6054546

SCHEMBL6054546

CC(C)(C)c1cc(SCC(=O)c2ccc([N+](=O)[O-])cc2)cc(C(C)(C)C)c1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 14/20 0.54
ALDH1A1 P00352 10/20 0.54
MEN1 O00255 8/20 0.52
KMT2A Q03164 8/20 0.52
HTT P42858 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
GALR3 O60755 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
GAA P10253 5/20 0.52
RAB9A P51151 3/20 0.48
LMNA P02545 1/20 0.48
NR1H4 Q96RI1 1/20 0.46
PKM P14618 2/20 0.46
MAPK1 P28482 1/20 0.46
GSK3B P49841 1/20 0.44
KDM4E B2RXH2 2/20 0.44
NPC1 O15118 1/20 0.44
MPI P34949 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CDC7 O00311 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
SCHEMBL9786968 0.81 ALDH1A1 (0.57) MAPTALDH1A1MEN1KMT2AHTT
SCHEMBL11529933 0.77 L3MBTL1 (0.63) MAPTALDH1A1MEN1KMT2AHTT
SCHEMBL8923438 0.76 PPARA (0.44) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL6054513 0.74 SMN1; SMN2 (0.51) MAPTALDH1A1MEN1KMT2AHTT
SCHEMBL4322184 0.73 KMT2A (0.57) MAPTALDH1A1MEN1KMT2AHTT
SCHEMBL9787226 0.73 MAPT (0.64) MAPTALDH1A1MEN1KMT2AHTT
SCHEMBL8922021 0.72 PPARA (0.49) ALDH1A1MEN1KMT2ANPC1
SCHEMBL4859122 0.72 MEN1 (0.69) MAPTALDH1A1MEN1KMT2AHTT
SCHEMBL9119059 0.72 MAPT (0.53) MAPTALDH1A1MEN1KMT2AHTT
SCHEMBL4397391 0.72 HPN (0.53) MAPTALDH1A1SMN1; SMN2GAALMNA

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