SCHEMBL529256

SCHEMBL529256

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

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.66
HTT P42858 1/20 0.66
GAA P10253 1/20 0.61
KDM4E B2RXH2 4/20 0.51
HPGD P15428 3/20 0.51
LMNA P02545 3/20 0.50
NPSR1 Q6W5P4 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 3/20 0.46
TP53 P04637 3/20 0.46
POLB P06746 1/20 0.45
TSHR P16473 1/20 0.45

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
SCHEMBL528300 0.95 MAPT (0.63) MAPTHTTGAAKDM4EHPGD
SCHEMBL528500 0.91 MAPT (0.77) MAPTHTTGAAKDM4EHPGD
SCHEMBL528229 0.90 MAPT (0.62) MAPTHTTGAAKDM4EHPGD
SCHEMBL528294 0.87 KDM4E (0.65) MAPTHTTGAAKDM4EHPGD
SCHEMBL528277 0.87 MAPT (0.62) MAPTHTTGAAKDM4EHPGD
SCHEMBL528566 0.85 MAPT (0.59) MAPTHTTGAAKDM4EHPGD
SCHEMBL529259 0.83 MAPT (0.55) MAPTHTTKDM4EHPGDLMNA
SCHEMBL528717 0.83 MAPT (0.76) MAPTHTTGAAKDM4EHPGD
SCHEMBL528549 0.82 MAPT (0.56) MAPTHTTGAAKDM4EHPGD
SCHEMBL528121 0.82 MAPT (0.75) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

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