SCHEMBL3638010

SCHEMBL3638010

CCOC(=O)n1c(C(=O)O)cc2cc([N+](=O)[O-])ccc21

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 3/20 0.50
MAPT P10636 4/20 0.46
NOD2 Q9HC29 1/20 0.46
NOD1 Q9Y239 1/20 0.46
KMT2A Q03164 4/20 0.45
MEN1 O00255 2/20 0.45
ELANE P08246 1/20 0.45
ALDH1A1 P00352 3/20 0.43
NPC1 O15118 1/20 0.43
NPBWR1 P48145 1/20 0.43
RAB9A P51151 1/20 0.43
MCHR1 Q99705 1/20 0.43
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CYP19A1 P11511 1/20 0.42

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
SCHEMBL3640350 0.90 CCR2 (0.50) CCR2MAPTNOD2NOD1KMT2A
SCHEMBL13560628 0.86 CCR2 (0.47) CCR2MAPTNOD2NOD1KMT2A
SCHEMBL28808282 0.84 CCR2 (0.47) CCR2MAPTKMT2AMEN1ALDH1A1
SCHEMBL3638008 0.84 NOD2 (0.53) CCR2MAPTNOD2NOD1ELANE
SCHEMBL29697822 0.83 CCR2 (0.52) CCR2MAPTKMT2AMEN1ALDH1A1
SCHEMBL3023818 0.82 NOD2 (0.48) MAPTNOD2NOD1KMT2AMEN1
SCHEMBL10173095 0.81 MAPT (0.45) MAPTNOD2NOD1KMT2AMEN1
SCHEMBL3637426 0.80 ABCB11 (0.45) CCR2MAPTNOD2NOD1KMT2A
SCHEMBL4421628 0.79 NOD2 (0.60) MAPTNOD2NOD1KMT2AMEN1
SCHEMBL1415761 0.79 CCR2 (0.63) CCR2MAPTKMT2AMEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2166856-A1 CHEMICAL COMPOUNDS GlaxoSmithKline LLC (US) 2010-03-31 EP disclosed
WO-2008154271-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-18 WO disclosed