SCHEMBL9503223

SCHEMBL9503223

CCCCCCCCCCOc1ccc(C(=O)Nc2cc(C(=O)OCC)ccc2OCC)cc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 4/20 0.58
ACAT1 P24752 1/20 0.54
MAPT P10636 2/20 0.54
MAPK1 P28482 2/20 0.54
TSHR P16473 1/20 0.54
HDAC1 Q13547 3/20 0.54
HDAC8 Q9BY41 3/20 0.54
HDAC6 Q9UBN7 3/20 0.54
CREBBP Q92793 3/20 0.52
NR1H4 Q96RI1 2/20 0.51
LMNA P02545 1/20 0.50
KMT2A Q03164 1/20 0.50
PLAU P00749 1/20 0.49

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
SCHEMBL9506416 0.89 PLK1 (0.49) PLK1ACAT1MAPTMAPK1TSHR
SCHEMBL9365159 0.88 CREBBP (0.65) PLK1ACAT1MAPTMAPK1TSHR
SCHEMBL9365185 0.87 ACAT1 (0.62) PLK1ACAT1MAPTMAPK1TSHR
SCHEMBL9362195 0.86 ACAT1 (0.73) PLK1ACAT1MAPTMAPK1TSHR
SCHEMBL9502439 0.84 MAPT (0.62) PLK1ACAT1MAPTMAPK1TSHR
SCHEMBL9365907 0.84 ACAT1 (0.64) PLK1ACAT1MAPTMAPK1TSHR
SCHEMBL9505696 0.84 ACAT1 (0.62) PLK1ACAT1MAPTMAPK1TSHR
SCHEMBL9504180 0.82 MAPT (0.53) PLK1ACAT1MAPTMAPK1TSHR
SCHEMBL9366112 0.82 ACAT1 (0.56) PLK1ACAT1MAPTMAPK1TSHR
SCHEMBL9361776 0.82 ACAT1 (0.61) PLK1ACAT1MAPTMAPK1TSHR

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