SCHEMBL6088065

SCHEMBL6088065

Cc1cc(C)cc(Oc2c(C(C)C)c(=O)[nH]c(=O)n2CC2CCCCC2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 2/20 0.38
GRIN2B Q13224 2/20 0.38
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
POLB P06746 1/20 0.35
MTOR P42345 4/20 0.35
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TPH1 P17752 1/20 0.34
TPH2 Q8IWU9 1/20 0.34
TLR9 Q9NR96 3/20 0.33
TLR8 Q9NR97 3/20 0.33
TLR7 Q9NYK1 3/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
JAK3 P52333 1/20 0.33
CNR2 P34972 2/20 0.32
MAPK9 P45984 1/20 0.32
CNR1 P21554 1/20 0.32

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
SCHEMBL7074091 0.99 GRIN1 (0.39) GRIN1GRIN2BKMT2AMEN1POLB
SCHEMBL6086617 0.97 GRIN1 (0.39) GRIN1GRIN2BKMT2AMEN1POLB
SCHEMBL6088530 0.94 GRIN1 (0.42) GRIN1GRIN2BKMT2AMEN1ALDH1A1
SCHEMBL7854164 0.92 GRIN1 (0.34) GRIN1GRIN2BKMT2AMEN1POLB
SCHEMBL7066800 0.89 GRIN1 (0.35) GRIN1GRIN2BKMT2AMEN1ALDH1A1
SCHEMBL7067674 0.88 HPGD (0.39) GRIN1GRIN2BKMT2AMEN1POLB
SCHEMBL7850057 0.87 GRIN1 (0.37) GRIN1GRIN2BKMT2AMEN1ALDH1A1
SCHEMBL6086495 0.84 LMNA (0.35) GRIN1GRIN2BALDH1A1SMN1; SMN2
SCHEMBL6087998 0.83 GRIN1 (0.39) GRIN1GRIN2BKMT2AMEN1POLB
SCHEMBL12829055 0.81 MAOB (0.36) KMT2AMEN1POLBALDH1A1CYP3A4

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
US-6987114-B1 Antiviral pyrimidinedione derivatives and process for the preparation thereof SAMJIN PHARMACEUTICAL CO., LTD (KR) 2006-01-17 US disclosed