SCHEMBL7155281

SCHEMBL7155281

C=CC(=O)OOCCOc1cc(-n2nc3ccccc3n2)c(O)c(C(C)(C)C)c1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.36
NPC1 O15118 5/20 0.34
RAB9A P51151 5/20 0.34
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 3/20 0.34
MAPT P10636 2/20 0.34
HPGD P15428 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
POLB P06746 2/20 0.33
F2R P25116 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
LMNA P02545 1/20 0.31
PPARG P37231 1/20 0.31
PPARA Q07869 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
SCHEMBL6379811 0.90 THRB (0.47) THRBNPC1RAB9AKDM4EALDH1A1
SCHEMBL110982 0.82 THRB (0.41) THRBKDM4EPOLB
SCHEMBL7177419 0.81 THRB (0.39) THRBNPC1RAB9AKDM4EALDH1A1
SCHEMBL11136454 0.80 NPC1 (0.41) NPC1RAB9AKDM4EALDH1A1MAPT
SCHEMBL21586965 0.79 NPC1 (0.40) NPC1RAB9AKDM4EALDH1A1MAPT
SCHEMBL6379807 0.78 NPC1 (0.35) NPC1RAB9AKDM4EALDH1A1MAPT
SCHEMBL18280470 0.78 KDM4E (0.35) THRBKDM4EALDH1A1MAPTHPGD
SCHEMBL8360557 0.78 KDM4E (0.47) NPC1RAB9AKDM4EALDH1A1MAPT
SCHEMBL9417192 0.78 NPC1 (0.36) NPC1RAB9AKDM4EALDH1A1MAPT
SCHEMBL19252768 0.78 TDP1 (0.39) NPC1RAB9AKDM4EALDH1A1MAPT

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-1293541-A2 Intraocular lens and dye therefor Canon-Staar Co., Inc. (JP) 2003-03-19 EP disclosed