SCHEMBL13015142

SCHEMBL13015142

CN(CCCc1ccccc1)C(=O)OI

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.50
SIGMAR1 Q99720 2/20 0.49
ALOX5 P09917 2/20 0.47
CHRM2 P08172 1/20 0.46
HTR1A P08908 1/20 0.46
ADRA2A P08913 1/20 0.46
CHRM1 P11229 1/20 0.46
DRD1 P21728 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
ADRA1A P35348 1/20 0.46
OPRM1 P35372 1/20 0.46
DRD3 P35462 1/20 0.46
SLC6A3 Q01959 1/20 0.46
KCNH2 Q12809 1/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46

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
SCHEMBL12169769 0.85 AOC3 (0.51) AOC3SIGMAR1ALOX5CHRM2HTR1A
SCHEMBL10127403 0.81 HDAC1 (0.52) AOC3SIGMAR1ALOX5
SCHEMBL2422928 0.81 AOC3 (0.58) AOC3SIGMAR1ALOX5CHRM2HTR1A
SCHEMBL8863944 0.77 MLYCD (0.60) AOC3SIGMAR1KMT2AMEN1
SCHEMBL8507046 0.76 ALOX5 (0.50) AOC3SIGMAR1ALOX5KMT2A
SCHEMBL8751616 0.76 SIGMAR1 (0.61) AOC3SIGMAR1ALOX5KMT2A
SCHEMBL29178457 0.75 AOC3 (0.56) AOC3SIGMAR1ALOX5CHRM2HTR1A
SCHEMBL2097870 0.75 NPY5R (0.56) AOC3ALOX5KMT2A
SCHEMBL10687119 0.74 NPC1 (0.53) AOC3SIGMAR1ALOX5KMT2A
SCHEMBL7985986 0.74 MLYCD (0.54) AOC3SIGMAR1ALOX5

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-2264030-A1 Substituted cyclic hydroxamates as inhibitors of matrix metalloproteinases Incyte Corporation (US) 2010-12-22 EP disclosed