SCHEMBL528229

SCHEMBL528229

CCS(=O)(=O)N(Cc1ccc(C(=O)Nc2ccccc2OC)cc1)c1ccc(C)c(C)c1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.62
HTT P42858 2/20 0.62
KDM4E B2RXH2 4/20 0.61
ALDH1A1 P00352 5/20 0.53
HPGD P15428 3/20 0.53
POLB P06746 1/20 0.52
LMNA P02545 3/20 0.51
HDAC3 O15379 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
SMN1; SMN2 Q16637 4/20 0.47
CNR2 P34972 1/20 0.47
GAA P10253 2/20 0.47
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
SCHEMBL528566 0.95 MAPT (0.59) MAPTHTTKDM4EALDH1A1HPGD
SCHEMBL528865 0.91 ALDH1A1 (0.54) MAPTHTTKDM4EALDH1A1HPGD
SCHEMBL527892 0.91 MAPT (0.73) MAPTHTTKDM4EALDH1A1HPGD
SCHEMBL529256 0.90 MAPT (0.66) MAPTHTTKDM4EALDH1A1HPGD
SCHEMBL528853 0.89 MAPT (0.75) MAPTHTTKDM4EALDH1A1HPGD
SCHEMBL529168 0.87 MAPT (0.55) MAPTHTTKDM4EALDH1A1HPGD
SCHEMBL529288 0.87 MAPT (0.58) MAPTHTTKDM4EALDH1A1HPGD
SCHEMBL528515 0.87 ALDH1A1 (0.52) MAPTHTTKDM4EALDH1A1HPGD
SCHEMBL528300 0.85 MAPT (0.63) MAPTHTTKDM4EALDH1A1HPGD
SCHEMBL528045 0.84 MAPT (0.61) MAPTHTTKDM4EALDH1A1HPGD

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