SCHEMBL9503292

SCHEMBL9503292

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

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 4/20 0.65
PLA2G4B P0C869 2/20 0.64
TSHR P16473 2/20 0.63
MAPT P10636 1/20 0.63
MAPK1 P28482 1/20 0.63
NR1H4 Q96RI1 2/20 0.63
HDAC1 Q13547 1/20 0.63
HDAC8 Q9BY41 1/20 0.63
HDAC6 Q9UBN7 1/20 0.63
TP53 P04637 2/20 0.61
RARB P10826 3/20 0.57
GAA P10253 1/20 0.57

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
SCHEMBL9502439 0.92 MAPT (0.62) PLK1PLA2G4BTSHRMAPTMAPK1
SCHEMBL9505675 0.91 MAPT (0.61) PLK1PLA2G4BTSHRMAPTMAPK1
SCHEMBL9362298 0.89 ACAT1 (0.73) PLK1TSHRMAPTMAPK1HDAC1
SCHEMBL9361404 0.89 ACAT1 (0.70) PLK1TSHRMAPTMAPK1HDAC1
SCHEMBL9361276 0.89 ACAT1 (0.67) PLK1TSHRMAPTMAPK1HDAC1
SCHEMBL9365181 0.89 ACAT1 (0.73) PLK1TSHRMAPTMAPK1HDAC1
SCHEMBL9362439 0.89 ACAT1 (0.73) PLK1TSHRMAPTMAPK1HDAC1
SCHEMBL9365091 0.89 ACAT1 (0.70) PLK1TSHRMAPTMAPK1HDAC1
SCHEMBL9365138 0.88 ACAT1 (0.66) PLK1TSHRMAPTMAPK1HDAC1
SCHEMBL9361811 0.88 ACAT1 (0.66) PLK1TSHRMAPTMAPK1HDAC1

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
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