SCHEMBL8240705

SCHEMBL8240705

Cc1ccc(-c2cc(C(=O)O)c3cccc(O)c3n2)cc1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 1/20 0.62
PDE10A Q9Y233 2/20 0.57
POLB P06746 2/20 0.57
KDM4E B2RXH2 3/20 0.56
LMNA P02545 2/20 0.56
HTT P42858 1/20 0.56
ALDH1A1 P00352 1/20 0.56
HSD17B10 Q99714 1/20 0.56
DHODH Q02127 2/20 0.55
PPARA Q07869 1/20 0.54
EPRS1 P07814 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.51
TNKS O95271 1/20 0.50
PARP1 P09874 1/20 0.50
TNKS2 Q9H2K2 1/20 0.50

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
SCHEMBL13958056 0.89 CCR6 (0.68) CCR6PDE10APOLBKDM4ELMNA
SCHEMBL28019600 0.87 CCR6 (0.67) CCR6PDE10APOLBKDM4ELMNA
SCHEMBL5525815 0.87 PDE10A (0.65) CCR6PDE10APOLBKDM4ELMNA
SCHEMBL29788466 0.80 DHODH (0.80) PDE10APOLBKDM4ELMNAALDH1A1
SCHEMBL4017739 0.80 DHODH (0.80) PDE10APOLBKDM4ELMNAALDH1A1
SCHEMBL6429299 0.79 KDM4E (0.80) CCR6PDE10APOLBKDM4ELMNA
SCHEMBL11810641 0.77 PDE10A (0.70) PDE10APOLBKDM4ELMNAHTT
SCHEMBL13460561 0.76 DHODH (0.59) PDE10APOLBKDM4ELMNAHTT
SCHEMBL3228463 0.76 AURKA (0.69) PDE10APOLBKDM4ELMNAHTT
SCHEMBL27982961 0.75 PDE10A (0.56) CCR6PDE10APOLBKDM4ELMNA

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
WO-2007071055-A1 COMPOSITIONS AND METHODS FOR MODULATING GATED ION CHANNELS PAINCEPTOR PHARMA CORPORATION (CA) 2007-06-28 WO disclosed