SCHEMBL16563262

SCHEMBL16563262

CCCCCCCCN(CCCCCCCC)c1ccc2c(C=O)cc(=O)oc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGLV6-57 P01721 6/20 0.54
ALDH1A1 P00352 11/20 0.52
GLA P06280 5/20 0.52
HPGD P15428 4/20 0.52
L3MBTL1 Q9Y468 4/20 0.52
ATM Q13315 4/20 0.52
CYP3A4 P08684 3/20 0.52
CASP1 P29466 3/20 0.52
CASP7 P55210 3/20 0.52
HSD17B10 Q99714 3/20 0.52
MAPK1 P28482 2/20 0.52
HIF1A Q16665 1/20 0.52
KDM4E B2RXH2 6/20 0.48
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
MAPT P10636 4/20 0.48
TDP1 Q9NUW8 4/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48

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
SCHEMBL16573497 0.86 IGLV6-57 (0.47) IGLV6-57ALDH1A1GLAHPGDL3MBTL1
SCHEMBL16563325 0.86 IGLV6-57 (0.47) IGLV6-57ALDH1A1GLAHPGDL3MBTL1
SCHEMBL16563064 0.86 IGLV6-57 (0.72) IGLV6-57ALDH1A1GLAHPGDL3MBTL1
SCHEMBL5964558 0.84 ALDH1A1 (0.72) IGLV6-57ALDH1A1GLAHPGDL3MBTL1
SCHEMBL3901017 0.82 ALDH1A1 (0.71) IGLV6-57ALDH1A1GLAHPGDL3MBTL1
SCHEMBL6688557 0.81 IGLV6-57 (0.76) IGLV6-57ALDH1A1GLAHPGDL3MBTL1
SCHEMBL16563181 0.81 ALDH1A1 (0.51) IGLV6-57ALDH1A1GLAHPGDL3MBTL1
SCHEMBL21457083 0.78 IGLV6-57 (0.56) IGLV6-57ALDH1A1GLAHPGDL3MBTL1
SCHEMBL1395286 0.77 IGLV6-57 (0.51) IGLV6-57ALDH1A1GLAHPGDL3MBTL1
SCHEMBL8122108 0.77 ALDH1A1 (0.75) IGLV6-57ALDH1A1GLAHPGDL3MBTL1

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-2848696-A1 Caspase-1 imaging probes Sanofi-Aventis Deutschland GmbH (DE) 2015-03-18 EP disclosed
EP-2848696-A1 Caspase-1 imaging probes Sanofi-Aventis Deutschland GmbH (DE) 2015-03-18 EP disclosed