SCHEMBL7611564

SCHEMBL7611564

O=C(O)N(Cc1ccccc1)CC(c1ccc(OCc2ccccc2)c(Cl)c1)c1ccc(OCc2ccccc2)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 1/20 0.49
PTPN12 Q05209 1/20 0.49
PTPN13 Q12923 1/20 0.49
SSU72 Q9NP77 1/20 0.49
NPC1 O15118 5/20 0.46
RAB9A P51151 5/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
NFKB1 P19838 2/20 0.46
NFKB2 Q00653 2/20 0.46
RELA Q04206 2/20 0.46
MRGPRX4 Q96LA9 8/20 0.45
HPGD P15428 6/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TP53 P04637 2/20 0.44
XBP1 P17861 2/20 0.44
MITF O75030 1/20 0.44
RXRA P19793 1/20 0.44

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
SCHEMBL7607698 0.87 BACE1 (0.45) ACP1PTPN12PTPN13SSU72NPC1
SCHEMBL38659146 0.77 ACP1 (0.53) ACP1PTPN12PTPN13SSU72NPC1
SCHEMBL8329893 0.76 ACP1 (0.52) ACP1PTPN12PTPN13SSU72NPC1
SCHEMBL7606235 0.76 NPC1 (0.40) ACP1PTPN12PTPN13SSU72NPC1
SCHEMBL7606237 0.75 NPC1 (0.39) ACP1PTPN12PTPN13SSU72NPC1
SCHEMBL7611570 0.75 ACP1 (0.51) ACP1PTPN12PTPN13SSU72NPC1
SCHEMBL10172543 0.74 NPC1 (0.52) ACP1PTPN12PTPN13SSU72NPC1
SCHEMBL8768182 0.74 NPC1 (0.52) ACP1PTPN12PTPN13SSU72NPC1
SCHEMBL7608191 0.74 FFAR1 (0.43) ACP1PTPN12PTPN13SSU72NPC1
SCHEMBL5702091 0.72 NPC1 (0.50) ACP1PTPN12PTPN13SSU72NPC1

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-1230210-A1 AMINOALCOHOL DERIVATIVES USEFUL FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-08-14 EP disclosed
WO-2001036375-A1 AMINOALCOHOL DERIVATIVES USEFUL FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-05-25 WO disclosed