SCHEMBL6817154

SCHEMBL6817154

NCCC(CC(CCCCCCCCCCCCCc1ccccc1)C(=O)O)C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.66
CPB2 Q96IY4 3/20 0.60
MAOA P21397 1/20 0.50
TRPA1 O75762 1/20 0.49
MAPT P10636 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
S1PR2 O95136 1/20 0.48
S1PR4 O95977 1/20 0.48
S1PR1 P21453 1/20 0.48
S1PR3 Q99500 1/20 0.48
GRM2 Q14416 1/20 0.47
GRM3 Q14832 1/20 0.47
FOLH1 Q04609 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
SCHEMBL10869562 0.84 GRIK1 (0.61) GRIK1CPB2TRPA1MAPTRXFP1
SCHEMBL9336513 0.83 CPB2 (0.67) GRIK1CPB2MAOAFOLH1
SCHEMBL19438906 0.82 GRIK1 (0.67) GRIK1CPB2MAOAFOLH1
SCHEMBL10521559 0.82 FOLH1 (0.68) GRIK1CPB2TRPA1MAPTRXFP1
SCHEMBL8669212 0.82 GRIK1 (0.58) GRIK1CPB2TRPA1MAPTRXFP1
SCHEMBL1862995 0.82 GRIK1 (0.61) GRIK1CPB2TRPA1MAPTRXFP1
SCHEMBL11050992 0.81 GRIK1 (0.56) GRIK1CPB2TRPA1MAPTRXFP1
SCHEMBL29650381 0.81 GRIK1 (0.56) GRIK1CPB2TRPA1MAPTRXFP1
SCHEMBL13917992 0.80 GRIK1 (0.69) GRIK1CPB2MAOAMAPTRXFP1
SCHEMBL5966641 0.80 FOLH1 (0.70) GRIK1CPB2FOLH1

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-0797774-B1 MULTILAYER ANALYTICAL ELEMENT IMI INTERNAT MEDICAL INNOVATIO (CA) 2004-11-10 EP claimed