SCHEMBL7690786

SCHEMBL7690786

CC(=O)NC1=C(O)C(C)(C)Oc2ccc(C(C)=O)cc21

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 2/20 0.36
KDM4E B2RXH2 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ADORA3 P0DMS8 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
S100A4 P26447 1/20 0.34
KMT2A Q03164 1/20 0.34
FTO Q9C0B1 1/20 0.34

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
SCHEMBL7693653 0.81 KDM4E (0.40) ALDH1A1MAPTKDM4ESMN1; SMN2NPC1
SCHEMBL7693373 0.79 KDM4E (0.38) ALDH1A1MAPTKDM4ESMN1; SMN2NPC1
Sulfuric Acid SCHEMBL7687036 0.75 S100A4 (0.36) ALDH1A1MAPTKDM4ESMN1; SMN2NPC1
Sulfuric Acid SCHEMBL7687037 0.72 S100A4 (0.34) ALDH1A1MAPTKDM4ESMN1; SMN2NPC1
SCHEMBL6651190 0.71 KDM4E (0.39) ALDH1A1MAPTKDM4ESMN1; SMN2NPC1
SCHEMBL15059366 0.68 S100A4 (0.46) ALDH1A1MAPTKDM4ECYP1A2CYP2C19
SCHEMBL31085219 0.66 S100A4 (0.44) ALDH1A1MAPTKDM4ESMN1; SMN2NPC1
SCHEMBL13481991 0.66 MAPT (0.66) ALDH1A1MAPTKDM4ENPSR1SMN1; SMN2
SCHEMBL18157491 0.65 S100A4 (0.46) ALDH1A1MAPTKDM4ESMN1; SMN2NPC1
SCHEMBL14702602 0.65 MAPT (0.46) ALDH1A1MAPTKDM4ESMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002042285-A1 NOVEL PROCESS FOR THE PREPARATION OF 4-BENZOYLAMINO CHROMAN DERIVATIVES SMITHKLINE BEECHAM P.L.C. (GB) 2002-05-30 WO disclosed