SCHEMBL9503267

SCHEMBL9503267

CCCCCCCCCCOc1ccc(C(=O)Nc2cc(C(=O)OC)ccc2Cl)cc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.60
PLK1 P53350 4/20 0.57
ACAT1 P24752 1/20 0.56
NPC1 O15118 1/20 0.55
ALDH1A1 P00352 2/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
NR1H4 Q96RI1 2/20 0.53
CYP1A2 P05177 1/20 0.52
RAB9A P51151 1/20 0.52
TP53 P04637 1/20 0.50
TSHR P16473 1/20 0.50
LMNA P02545 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
SCHEMBL9505174 0.88 MAPT (0.56) MAPTALDH1A1TP53TSHRLMNA
SCHEMBL9502523 0.87 PLK1 (0.58) MAPTPLK1ACAT1ALDH1A1NR1H4
SCHEMBL9365249 0.87 ACAT1 (0.74) MAPTPLK1ACAT1NPC1ALDH1A1
SCHEMBL9502439 0.86 MAPT (0.62) MAPTPLK1ACAT1HDAC1HDAC8
SCHEMBL9509058 0.85 MAPT (0.56) MAPTPLK1ALDH1A1TP53TSHR
SCHEMBL9502352 0.84 ACAT1 (0.77) MAPTPLK1ACAT1ALDH1A1NR1H4
SCHEMBL9502442 0.84 PLK1 (0.55) MAPTPLK1ACAT1ALDH1A1NR1H4
SCHEMBL9365176 0.82 ACAT1 (0.62) MAPTPLK1ACAT1NPC1ALDH1A1
SCHEMBL9361144 0.82 ACAT1 (0.68) MAPTPLK1ACAT1NPC1ALDH1A1
SCHEMBL2839008 0.81 SMN1; SMN2 (0.66) MAPTPLK1NPC1ALDH1A1NR1H4

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