SCHEMBL5175235

SCHEMBL5175235

COOc1cccc(C(N)=O)c1Oc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 1/20 0.59
SIRT2 Q8IXJ6 1/20 0.47
SIRT1 Q96EB6 1/20 0.47
BRD4 O60885 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
IRAK4 Q9NWZ3 1/20 0.43
HTT P42858 1/20 0.43
PARP10 Q53GL7 1/20 0.42
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
PLA2G10 O15496 1/20 0.40
CHEK2 O96017 1/20 0.40
MAPK1 P28482 1/20 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
SCHEMBL7672827 0.79 IRAK4 (0.59) CTNNB1SMN1; SMN2IRAK4HTTRAB9A
SCHEMBL17045049 0.77 CTNNB1 (0.56) CTNNB1SIRT2SIRT1BRD4SMN1; SMN2
SCHEMBL5049439 0.76 CTNNB1 (0.59) CTNNB1SIRT2SIRT1BRD4SMN1; SMN2
SCHEMBL27511872 0.76 KDM4E (0.46) CTNNB1SMN1; SMN2IRAK4HTTRAB9A
Methyl Alcohol SCHEMBL8782982 0.76 CTNNB1 (0.93) CTNNB1SIRT2SIRT1BRD4SMN1; SMN2
SCHEMBL8211650 0.76 CTNNB1 (0.54) CTNNB1SIRT2SIRT1BRD4SMN1; SMN2
SCHEMBL28876495 0.76 CTNNB1 (1.00) CTNNB1SIRT2SIRT1BRD4SMN1; SMN2
SCHEMBL27680126 0.76 CTNNB1 (1.00) CTNNB1SIRT2SIRT1BRD4SMN1; SMN2
SCHEMBL5724 0.76 CTNNB1 (1.00) CTNNB1SIRT2SIRT1BRD4SMN1; SMN2
SCHEMBL27872615 0.75 CTNNB1 (0.57) CTNNB1SIRT2SIRT1BRD4SMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007518816-A 2007-07-12 JP claimed
EP-1737414-A2 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS OF INFLAMMATORY AND NEUROPATIC PAIN AMGEN INC. (US) 2007-01-03 EP claimed
WO-2005072681-A2 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS OF INFLAMMATORY AND NEUROTIC PAIN. AMGEN INC. (US) 2005-08-11 WO claimed