SCHEMBL6438487

SCHEMBL6438487

CC(C)(C)OC(=O)CC1CCC[N]c2ccccc21

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 4/20 0.35
NOD2 Q9HC29 1/20 0.34
NOD1 Q9Y239 1/20 0.34
BRD4 O60885 2/20 0.33
MIF P14174 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
IDO1 P14902 3/20 0.32
PLA2G10 O15496 1/20 0.32
PLA2G5 P39877 1/20 0.32
ALOX5AP P20292 1/20 0.32
FEN1 P39748 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
SCHEMBL6441669 0.76 MAPK1 (0.40) CACNA1GNOD2NOD1L3MBTL1KMT2A
SCHEMBL19984920 0.76 MTNR1A (0.47) NOD2NOD1
SCHEMBL6443098 0.70 CRBN (0.44) CACNA1GALDH1A1IDO1
SCHEMBL6441308 0.70 CRBN (0.44) CACNA1GALDH1A1IDO1
SCHEMBL22230765 0.67 CYP1A2 (0.42) BRD4L3MBTL1KMT2AIDO1
SCHEMBL5418465 0.66 ITGB3 (0.42) ALDH1A1IDO1PLA2G10PLA2G5
SCHEMBL5026289 0.66 ITGB3 (0.42) KMT2A
SCHEMBL5025707 0.66 ITGB3 (0.42) KMT2A
SCHEMBL7023196 0.66 NOS1 (0.36) KMT2AALDH1A1
SCHEMBL7402874 0.66 BRD4 (0.39) NOD2NOD1BRD4MIFKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1286673-B8 LIGANDS OF INTEGRIN RECEPTORS ABBOTT GMBH & CO KG (DE) 2005-07-20 EP disclosed
EP-1286673-A2 LIGANDS OF INTEGRIN RECEPTORS Basf Aktiengesellschaft (DE) 2003-03-05 EP disclosed
WO-2001093840-A2 LIGANDS OF INTEGRIN RECEPTORS BASF AG (DE) 2001-12-13 WO disclosed