SCHEMBL13409339

SCHEMBL13409339

COc1ccc2c(OC(C)C)nc(-c3ccc(N(C)C)cc3)cc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 6/20 0.44
PTGDR Q13258 1/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
TLR9 Q9NR96 1/20 0.42
TLR7 Q9NYK1 1/20 0.42
SLC2A1 P11166 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
CASP3 P42574 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ACP1 P24666 2/20 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
SCHEMBL13409345 0.87 MAPT (0.42) GAANPC1RAB9ACASP3SENP7
SCHEMBL13409378 0.87 MAPT (0.46) PTGDRGAATLR9TLR7NPC1
SCHEMBL13409376 0.85 MAPT (0.55) NPC1RAB9AKDM4EMAPTMEN1
SCHEMBL13409379 0.84 PDGFRB (0.43) PTGDRNPC1RAB9ACASP3SENP7
SCHEMBL13444511 0.83 ALDH1A1 (0.47) APPPTGDRGLAGAANPC1
SCHEMBL13409323 0.82 BTK (0.52) GLAKDM4EMAPTATMALDH1A1
SCHEMBL1536507 0.80 APP (0.48) APPPTGDRGLAGAATLR9
SCHEMBL1536364 0.80 APP (0.48) APPPTGDRGLAGAATLR9
SCHEMBL8351874 0.80 APP (0.48) APPPTGDRGLAGAATLR9
SCHEMBL13409338 0.79 MAPT (0.41) NPC1RAB9AKDM4EMAPTATM

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
US-7705146-B2 Hepatitis C inhibitor peptide analogs BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-27 US disclosed
US-7705146-B2 Hepatitis C inhibitor peptide analogs BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-27 US disclosed