SCHEMBL528826

SCHEMBL528826

CCOc1ccc(OCC)c(NC(=O)c2ccc(CN(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.64
HTT P42858 2/20 0.64
SMN1; SMN2 Q16637 4/20 0.53
KCNH2 Q12809 1/20 0.53
ALDH1A1 P00352 5/20 0.53
HPGD P15428 4/20 0.53
KDM4E B2RXH2 2/20 0.53
LMNA P02545 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
PLAU P00749 1/20 0.49
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
GAA P10253 1/20 0.48
POLB P06746 1/20 0.46
HSD17B10 Q99714 1/20 0.46
NPSR1 Q6W5P4 2/20 0.46
TP53 P04637 1/20 0.46

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
SCHEMBL528045 0.89 MAPT (0.61) MAPTHTTSMN1; SMN2KCNH2ALDH1A1
SCHEMBL528717 0.87 MAPT (0.76) MAPTHTTSMN1; SMN2KCNH2ALDH1A1
SCHEMBL529695 0.86 MAPT (0.50) MAPTHTTSMN1; SMN2ALDH1A1HPGD
SCHEMBL528222 0.84 MAPT (0.66) MAPTHTTSMN1; SMN2KCNH2ALDH1A1
SCHEMBL528500 0.82 MAPT (0.77) MAPTHTTSMN1; SMN2KCNH2ALDH1A1
SCHEMBL528865 0.81 ALDH1A1 (0.54) MAPTHTTSMN1; SMN2ALDH1A1HPGD
SCHEMBL528121 0.81 MAPT (0.75) MAPTHTTSMN1; SMN2KCNH2ALDH1A1
SCHEMBL528415 0.80 LMNA (0.57) MAPTHTTSMN1; SMN2KCNH2ALDH1A1
SCHEMBL528383 0.80 NPSR1 (0.65) MAPTHTTSMN1; SMN2KCNH2ALDH1A1
SCHEMBL528449 0.80 ALDH1A1 (0.67) MAPTHTTSMN1; SMN2KCNH2ALDH1A1

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
WO-2012014127-A1 5-LIPOXYGENASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2012-02-02 WO disclosed