SCHEMBL9502439

SCHEMBL9502439

CCCCCCCCCCOc1ccc(C(=O)Nc2cc(C(=O)OC)ccc2OC)cc1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.62
TSHR P16473 1/20 0.62
MAPK1 P28482 1/20 0.62
HDAC1 Q13547 2/20 0.61
HDAC8 Q9BY41 2/20 0.61
HDAC6 Q9UBN7 2/20 0.61
PLK1 P53350 4/20 0.57
GAA P10253 2/20 0.56
TP53 P04637 1/20 0.56
ACAT1 P24752 1/20 0.56
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
PLA2G4B P0C869 1/20 0.54
MDH1 P40925 1/20 0.53
MDH2 P40926 1/20 0.53
SMPD1 P17405 3/20 0.53
NR1H4 Q96RI1 1/20 0.53

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
SCHEMBL9503292 0.92 PLK1 (0.65) MAPTTSHRMAPK1HDAC1HDAC8
SCHEMBL9505675 0.90 MAPT (0.61) MAPTTSHRMAPK1HDAC1HDAC8
SCHEMBL9503027 0.88 MEN1 (0.58) MAPTTSHRMAPK1GAATP53
SCHEMBL9362439 0.88 ACAT1 (0.73) MAPTTSHRMAPK1HDAC1HDAC8
SCHEMBL9365091 0.88 ACAT1 (0.70) MAPTTSHRMAPK1HDAC1HDAC8
SCHEMBL9361276 0.88 ACAT1 (0.67) MAPTTSHRMAPK1HDAC1HDAC8
SCHEMBL9362298 0.88 ACAT1 (0.73) MAPTTSHRMAPK1HDAC1HDAC8
SCHEMBL9365181 0.88 ACAT1 (0.73) MAPTTSHRMAPK1HDAC1HDAC8
SCHEMBL9361404 0.88 ACAT1 (0.70) MAPTTSHRMAPK1HDAC1HDAC8
SCHEMBL9504180 0.88 MAPT (0.53) MAPTTSHRMAPK1HDAC1HDAC8

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0543884-A1 BENZANILIDE DERIVATIVES AND THEIR USE AS ANTI-ATHEROSCLEROTIC AGENTS RHONE-POULENC RORER LIMITED (GB) 1993-06-02 EP claimed
WO-1992003408-A1 BENZANILIDE DERIVATIVES AND THEIR USE AS ANTI-ANTHEROSCLEROTIC AGENTS RHONE-POULENC RORER LIMITED (GB) 1992-03-05 WO claimed
EP-0543884-A1 BENZANILIDE DERIVATIVES AND THEIR USE AS ANTI-ATHEROSCLEROTIC AGENTS RHONE-POULENC RORER LIMITED (GB) 1993-06-02 EP disclosed
WO-1992003408-A1 BENZANILIDE DERIVATIVES AND THEIR USE AS ANTI-ANTHEROSCLEROTIC AGENTS RHONE-POULENC RORER LIMITED (GB) 1992-03-05 WO disclosed