SCHEMBL9502523

SCHEMBL9502523

CCCCCCCCCCOc1ccc(C(=O)Nc2cc(C(=O)OC)ccc2F)cc1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 4/20 0.58
ACAT1 P24752 1/20 0.57
NR1H4 Q96RI1 2/20 0.54
TP53 P04637 1/20 0.51
TSHR P16473 1/20 0.51
LMNA P02545 2/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
PLA2G4B P0C869 1/20 0.50
MAPT P10636 1/20 0.50
MAPK1 P28482 1/20 0.50
KMT2A Q03164 1/20 0.50
STAT3 P40763 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50

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 0.87 MAPT (0.62) PLK1ACAT1NR1H4TP53TSHR
SCHEMBL9503267 0.87 MAPT (0.60) PLK1ACAT1NR1H4TP53TSHR
SCHEMBL9365180 0.87 ACAT1 (0.67) PLK1ACAT1NR1H4MAPK1KMT2A
SCHEMBL9361286 0.86 ACAT1 (0.76) PLK1ACAT1NR1H4MAPK1KMT2A
SCHEMBL9502442 0.85 PLK1 (0.55) PLK1ACAT1NR1H4TP53TSHR
SCHEMBL9502352 0.85 ACAT1 (0.77) PLK1ACAT1NR1H4TP53TSHR
SCHEMBL2839008 0.82 SMN1; SMN2 (0.66) PLK1NR1H4TP53TSHRLMNA
SCHEMBL302596 0.81 MAPT (0.74) TP53TSHRLMNAPLA2G4BMAPT
SCHEMBL7171003 0.81 MAPT (0.74) TP53TSHRLMNAPLA2G4BMAPT
SCHEMBL21908583 0.81 MAPT (0.74) TP53TSHRLMNAPLA2G4BMAPT

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