SCHEMBL13770833

SCHEMBL13770833

CNc1ccc(-c2nc(COC3CCCCO3)c(CCl)o2)cc1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.34
P2RX3 P56373 11/20 0.33
KDM4C Q9H3R0 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
MET P08581 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ICAM1 P05362 1/20 0.31
SELE P16581 1/20 0.31

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
SCHEMBL3536366 0.87 RAB9A (0.43) APPKDM4CNPC1RAB9AKDM4E
SCHEMBL3537723 0.76 TP53 (0.45) NPC1RAB9AKDM4EALDH1A1GAA
SCHEMBL14949940 0.76 CREBBP (0.41) APPP2RX3KDM4CNPC1RAB9A
SCHEMBL3533285 0.73 RAB9A (0.44) KDM4CNPC1RAB9AKDM4EALDH1A1
SCHEMBL3534072 0.71 RAB9A (0.40) NPC1RAB9AKDM4EALDH1A1GAA
SCHEMBL3768515 0.69 ALDH1A1 (0.43) NPC1RAB9AKDM4EALDH1A1GAA
SCHEMBL3773297 0.68 ALDH1A1 (0.46) NPC1RAB9AKDM4EALDH1A1GAA
SCHEMBL2849400 0.67 ICAM1 (0.42) P2RX3KDM4CNPC1RAB9AALDH1A1
SCHEMBL3540745 0.66 TARBP2 (0.49) NPC1RAB9AKDM4EALDH1A1GAA
SCHEMBL28443797 0.66 RXRA (0.43)

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
EP-1740583-B1 OXADIAZOLONE DERIVATIVES AS PPAR DELTA AGONISTS SANOFI AVENTIS DEUTSCHLAND (DE) 2009-07-01 EP disclosed