SCHEMBL1775754

SCHEMBL1775754

O=C(OCc1ccccc1)N1C[C@@H](OCc2ccccc2)[C@H](O)[C@H]1COCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 2/20 0.44
KLK5 Q9Y337 1/20 0.44
HCRTR2 O43614 1/20 0.43
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42
APH1A Q96BI3 1/20 0.42
PSENEN Q9NZ42 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
HTR2C P28335 1/20 0.41
CYP2C19 P33261 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
POLB P06746 1/20 0.39

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
SCHEMBL1776891 1.00 KLK7 (0.44) KLK7KLK5HCRTR2PSEN1PSEN2
SCHEMBL2914271 0.89 BCHE (0.43) BCHEACHEAGTR2
SCHEMBL9547939 0.83 KLK7 (0.44) KLK7KLK5HCRTR2PSEN1PSEN2
SCHEMBL14763101 0.81 KLK7 (0.47) KLK7KLK5PSEN1PSEN2APH1B
SCHEMBL14762446 0.81 KLK7 (0.47) KLK7KLK5PSEN1PSEN2APH1B
SCHEMBL5465296 0.80 SMN1; SMN2 (0.46) KLK7KLK5HCRTR2SMN1; SMN2NPC1
SCHEMBL1776054 0.80 GJB2 (0.42)
SCHEMBL1778348 0.80 GJB2 (0.42)
SCHEMBL31420651 0.79 KLK7 (0.46) KLK7KLK5HCRTR2PSEN1PSEN2
SCHEMBL1777167 0.78 PTPN1 (0.42)

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
US-7943584-B2 Medicinal composition containing diabetes remedy SANKYO COMPANY, LIMITED (JP) 2011-05-17 US disclosed