SCHEMBL7593750

SCHEMBL7593750

CCC(O)(c1cccc(NC(=O)OC)c1)c1cccc(NC(=O)OC)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.49
ALDH1A1 P00352 3/20 0.47
MAPK1 P28482 3/20 0.47
FAAH O00519 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAPT P10636 4/20 0.44
LMNA P02545 4/20 0.44
GAA P10253 2/20 0.44
HSD17B10 Q99714 1/20 0.44
MEN1 O00255 1/20 0.44
XBP1 P17861 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HPGD P15428 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TP53 P04637 1/20 0.42
HTT P42858 2/20 0.42
NPC1 O15118 1/20 0.42
KCNJ6 P48051 1/20 0.42
KCNJ5 P48544 1/20 0.42

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
SCHEMBL7611163 0.83 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1MAPK1FAAHCYP3A4
SCHEMBL2097862 0.81 HDAC3 (0.59) SMN1; SMN2ALDH1A1MAPK1FAAHCYP3A4
SCHEMBL515008 0.80 SMN1; SMN2 (0.68) SMN1; SMN2ALDH1A1MAPTLMNAGAA
SCHEMBL716889 0.78 MAPK1 (0.62) SMN1; SMN2ALDH1A1MAPK1FAAHCYP3A4
SCHEMBL7028479 0.77 RXFP1 (0.42) SMN1; SMN2MAPTLMNAMEN1KMT2A
SCHEMBL2092939 0.77 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1MAPK1FAAHCYP3A4
SCHEMBL7032860 0.76 SMN1; SMN2 (0.43) SMN1; SMN2LMNAGAAMEN1KMT2A
SCHEMBL14368009 0.74 MAPT (0.59) SMN1; SMN2ALDH1A1MAPK1FAAHCYP3A4
SCHEMBL11653085 0.73 MGLL (0.58) SMN1; SMN2ALDH1A1MAPK1FAAHCYP3A4
SCHEMBL13154805 0.73 MAPK1 (0.62) SMN1; SMN2ALDH1A1MAPK1CYP3A4MAPT

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-1257528-A1 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-20 EP disclosed
WO-2001060786-A1 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-08-23 WO disclosed