SCHEMBL528487

SCHEMBL528487

CCCS(=O)(=O)N(Cc1ccc(NC(=O)c2cc(OC)ccc2OC)cc1)c1ccc(C)c(C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.46
HTT P42858 3/20 0.46
ALDH1A1 P00352 5/20 0.45
GAA P10253 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HDAC8 Q9BY41 1/20 0.42
CYP2C9 P11712 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
HPGD P15428 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TP53 P04637 2/20 0.42
KCNK3 O14649 1/20 0.41
KCNK9 Q9NPC2 1/20 0.41

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
SCHEMBL528937 0.95 MAPT (0.47) MAPTHTTALDH1A1GAANPSR1
SCHEMBL527889 0.90 ALDH1A1 (0.58) MAPTHTTALDH1A1GAANPSR1
SCHEMBL528787 0.89 MAPT (0.56) MAPTHTTALDH1A1GAANPSR1
SCHEMBL529518 0.87 MAPT (0.46) MAPTHTTALDH1A1GAANPSR1
SCHEMBL528401 0.86 MAPT (0.47) MAPTHTTALDH1A1GAANPSR1
SCHEMBL529428 0.85 MAPT (0.57) MAPTHTTALDH1A1NPSR1HPGD
SCHEMBL528272 0.85 MAPT (0.45) MAPTHTTALDH1A1GAANPSR1
SCHEMBL528514 0.84 L3MBTL1 (0.49) MAPTHTTALDH1A1RXFP1SMN1; SMN2
SCHEMBL528276 0.83 ROCK2 (0.51) MAPTHTTALDH1A1GAAHPGD
SCHEMBL528399 0.82 MAPT (0.56) MAPTHTTALDH1A1GAACYP2C9

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