SCHEMBL45707

SCHEMBL45707

CC(NC(=O)c1c(F)cccc1C(=O)O)OCCO

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 3/20 0.40
ICAM1 P05362 3/20 0.40
ITGAL P20701 3/20 0.40
POLB P06746 1/20 0.39
PTPN1 P18031 1/20 0.39
ALB P02768 1/20 0.38
TP53 P04637 1/20 0.37
HTT P42858 1/20 0.37
PSMB1 P20618 1/20 0.36
PSMB5 P28074 1/20 0.36
PSMB2 P49721 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL551858 0.82 ALB (0.47) ITGB2ICAM1ITGALPOLBALB
SCHEMBL550567 0.75 POLB (0.47) ITGB2ICAM1ITGALPOLBALB
SCHEMBL6028213 0.74 KDM4E (0.41) ITGB2ICAM1ITGALPOLBPTPN1
SCHEMBL5657142 0.72 MEN1 (0.43) POLBLMNAMEN1KMT2A
SCHEMBL5657918 0.72 ALDH1A1 (0.52) POLBHTTLMNAGAAMEN1
SCHEMBL551859 0.71 PTPN1 (0.48) ITGB2ICAM1ITGALPOLBPTPN1
SCHEMBL7135256 0.70 ITGB2 (0.53) ITGB2ICAM1ITGALTP53HTT
SCHEMBL852026 0.69 ALB (0.52) POLBALBLMNAGAAL3MBTL1
SCHEMBL28472994 0.68 POLB (0.38) ITGB2ICAM1ITGALPOLBALB
SCHEMBL335939 0.67 ALB (0.63) ALBLMNAKMT2A

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-2591354-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT Ardelyx, Inc. (US) 2013-05-15 EP disclosed
WO-2012006475-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2012-01-12 WO disclosed