SCHEMBL528515

SCHEMBL528515

CCCS(=O)(=O)N(Cc1ccc(C(=O)Nc2ccccc2OCC)cc1)c1ccc(C)c(C)c1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
MAPT P10636 3/20 0.52
KDM4E B2RXH2 3/20 0.52
HPGD P15428 1/20 0.52
GAA P10253 2/20 0.52
LMNA P02545 2/20 0.50
HTT P42858 1/20 0.50
NPC1 O15118 2/20 0.48
RAB9A P51151 1/20 0.48
P4HTM Q9NXG6 1/20 0.46
AHR P35869 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44

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
SCHEMBL528865 0.95 ALDH1A1 (0.54) ALDH1A1MAPTKDM4EHPGDGAA
SCHEMBL528566 0.92 MAPT (0.59) ALDH1A1MAPTKDM4EHPGDGAA
SCHEMBL528045 0.90 MAPT (0.61) ALDH1A1MAPTKDM4EHPGDGAA
SCHEMBL528552 0.88 KDM4E (0.64) ALDH1A1MAPTKDM4EHPGDGAA
SCHEMBL528229 0.87 MAPT (0.62) ALDH1A1MAPTKDM4EHPGDGAA
SCHEMBL528278 0.87 MAPT (0.55) ALDH1A1MAPTKDM4EHPGDGAA
SCHEMBL529361 0.86 ALDH1A1 (0.50) ALDH1A1MAPTKDM4EHPGDGAA
SCHEMBL528349 0.84 RXFP1 (0.49) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL528300 0.82 MAPT (0.63) ALDH1A1MAPTKDM4EHPGDGAA
SCHEMBL529168 0.82 MAPT (0.55) ALDH1A1MAPTKDM4EHPGDGAA

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