SCHEMBL11204151

SCHEMBL11204151

CC(CCOc1cccc(-c2ccccc2)n1)OC(C)CCOc1cccc(-c2ccccc2)n1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 14/20 0.44
MEN1 O00255 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
HTR7 P34969 1/20 0.40
ELANE P08246 1/20 0.39
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
KCNH2 Q12809 1/20 0.38
ASIC3 Q9UHC3 1/20 0.38
TRPV3 Q8NET8 1/20 0.37

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
SCHEMBL5331564 0.77 SOAT1 (0.50) LTB4RMEN1RAB9AKMT2A
SCHEMBL2300904 0.76 RAB9A (0.57) MEN1RAB9AKMT2AHTR7SLC6A2
SCHEMBL11204150 0.76 RAB9A (0.46) LTB4RMEN1RAB9AKMT2AHTR7
SCHEMBL11205319 0.75 MEN1 (0.44) LTB4RMEN1RAB9AKMT2AHTR7
SCHEMBL28051936 0.73 RAB9A (0.50) LTB4RMEN1RAB9AKMT2AHTR7
SCHEMBL11208730 0.73 TRPV3 (0.48) LTB4RMEN1RAB9AKMT2AHTR7
SCHEMBL2301796 0.73 MEN1 (0.54) MEN1RAB9AKMT2ASLC6A2SLC6A4
SCHEMBL11204040 0.71 LTB4R (0.71) LTB4R
SCHEMBL1360819 0.70 RAB9A (0.60) MEN1RAB9AKMT2ASLC6A2SLC6A4
SCHEMBL8987192 0.70 LTB4R (0.71) LTB4R

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-0090353-A1 2-Pyridone derivatives, method for their preparation and pharmaceutical compositions containing them HOECHST AKTIENGESELLSCHAFT (DE) 1983-10-05 EP disclosed