SCHEMBL7747243

SCHEMBL7747243

CCCCOC(=O)NC1CC12CCNC2

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 4/20 0.41
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
EPHX1 P07099 1/20 0.36
ACHE P22303 7/20 0.36
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL9211223 0.92 NAAA (0.40) NAAAGAAMAPK1HTTSMN1; SMN2
SCHEMBL9211227 0.85 GAA (0.42) NAAAGAAMAPK1HTTSMN1; SMN2
SCHEMBL9218015 0.84 NAAA (0.44) NAAAGAAMAPK1HTTSMN1; SMN2
SCHEMBL7747244 0.82 NAAA (0.45) NAAAGAAMAPK1HTTSMN1; SMN2
SCHEMBL9218020 0.82 NAAA (0.42) NAAAGAAMAPK1HTTSMN1; SMN2
SCHEMBL18321902 0.82 GAA (0.41) NAAAGAAMAPK1HTTSMN1; SMN2
SCHEMBL30802452 0.77 GAA (0.44) NAAAGAAMAPK1HTTSMN1; SMN2
SCHEMBL21580871 0.74 GAA (0.38) GAAMAPK1EPHX1
SCHEMBL31598447 0.74 GAA (0.38) GAAMAPK1EPHX1
SCHEMBL13740556 0.73 EPHX1 (0.39) NAAAGAAMAPK1HTTSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2001002676-A PRODUCTION OF QUINOLONE CARBOXYLIC ACID DERIVATIVE DAI ICHI SEIYAKU CO LTD 2001-01-09 JP disclosed
EP-0341493-A2 Optically active pyridonecarboxylic acid derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1989-11-15 EP disclosed