SCHEMBL11208730

SCHEMBL11208730

CC(CO)Oc1cccc(-c2ccccc2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV3 Q8NET8 2/20 0.48
MEN1 O00255 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
CNR2 P34972 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
KCNH2 Q12809 1/20 0.40
ASIC3 Q9UHC3 1/20 0.40
DYRK1A Q13627 5/20 0.38
DYRK2 Q92630 5/20 0.38
CDK9 P50750 1/20 0.38
LTB4R Q15722 3/20 0.38
ELANE P08246 1/20 0.38
CLK1 P49759 1/20 0.36
HTR1A P08908 1/20 0.36
DRD2 P14416 1/20 0.36
HTR2A P28223 1/20 0.36
HTR7 P34969 1/20 0.36
FFAR4 Q5NUL3 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
SCHEMBL11205319 0.83 MEN1 (0.44) TRPV3MEN1RAB9AKMT2ACNR2
SCHEMBL2301796 0.82 MEN1 (0.54) TRPV3MEN1RAB9AKMT2ACNR2
SCHEMBL11199852 0.79 LTB4R (0.46) TRPV3MEN1RAB9AKMT2ACNR2
SCHEMBL11204613 0.78 CYP1A2 (0.53) MEN1RAB9AKMT2ACNR2SLC6A2
SCHEMBL11202960 0.76 CYP1A2 (0.39) TRPV3MEN1RAB9AKMT2ASLC6A2
SCHEMBL11200300 0.76 TSHR (0.54) MEN1RAB9AKMT2ACNR2ADORA3
SCHEMBL22488586 0.76 MAPT (0.36) DYRK1ADYRK2CDK9
SCHEMBL11209392 0.75 MEN1 (0.46) TRPV3MEN1RAB9AKMT2ACNR2
SCHEMBL11208348 0.75 KLK7 (0.44) TRPV3MEN1RAB9AKMT2ACNR2
SCHEMBL11204151 0.73 LTB4R (0.44) TRPV3MEN1RAB9AKMT2ASLC6A2

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