SCHEMBL528300

SCHEMBL528300

CCCS(=O)(=O)N(Cc1ccc(C(=O)Nc2cc(C)ccc2OC)cc1)c1ccc(C)c(C)c1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.63
HTT P42858 1/20 0.63
GAA P10253 1/20 0.58
KDM4E B2RXH2 4/20 0.49
HPGD P15428 3/20 0.49
LMNA P02545 3/20 0.48
NPSR1 Q6W5P4 1/20 0.47
ALDH1A1 P00352 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
TP53 P04637 2/20 0.44
POLB P06746 1/20 0.43

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
SCHEMBL529256 0.95 MAPT (0.66) MAPTHTTGAAKDM4EHPGD
SCHEMBL528566 0.90 MAPT (0.59) MAPTHTTGAAKDM4EHPGD
SCHEMBL528500 0.89 MAPT (0.77) MAPTHTTGAAKDM4EHPGD
SCHEMBL528229 0.85 MAPT (0.62) MAPTHTTGAAKDM4EHPGD
SCHEMBL528277 0.85 MAPT (0.62) MAPTHTTGAAKDM4EHPGD
SCHEMBL528294 0.85 KDM4E (0.65) MAPTHTTGAAKDM4EHPGD
SCHEMBL528276 0.82 ROCK2 (0.51) MAPTHTTGAAKDM4EHPGD
SCHEMBL528515 0.82 ALDH1A1 (0.52) MAPTHTTGAAKDM4EHPGD
SCHEMBL528278 0.81 MAPT (0.55) MAPTHTTGAAKDM4EHPGD
SCHEMBL528717 0.81 MAPT (0.76) MAPTHTTGAAKDM4EHPGD

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