SCHEMBL1843116

SCHEMBL1843116

COc1ccc(-c2ccc(/C(C)=C/C(=O)O)cc2)cn1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.62
MKNK2 Q9HBH9 1/20 0.62
GPR183 P32249 1/20 0.49
OXTR P30559 1/20 0.49
NNMT P40261 1/20 0.49
HSD17B1 P14061 1/20 0.47
HSD17B2 P37059 1/20 0.47
NR4A1 P22736 1/20 0.44
NR4A2 P43354 1/20 0.44
NR4A3 Q92570 1/20 0.44
ERN1 O75460 3/20 0.44
HDAC3 O15379 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
CD274 Q9NZQ7 1/20 0.44
CYP2A6 P11509 2/20 0.43
TBXAS1 P24557 2/20 0.42
FFAR2 O15552 1/20 0.42
PIK3CG P48736 1/20 0.42
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL34467320 0.88 NNMT (0.58) MKNK1MKNK2GPR183OXTRNNMT
SCHEMBL29365356 0.82 MKNK1 (0.73) MKNK1MKNK2OXTRNNMTHSD17B1
SCHEMBL1870306 0.82 MKNK1 (0.73) MKNK1MKNK2OXTRNNMTHSD17B1
SCHEMBL12641872 0.82 MKNK1 (0.73) MKNK1MKNK2OXTRNNMTHSD17B1
SCHEMBL30280631 0.82 MKNK1 (0.73) MKNK1MKNK2OXTRNNMTHSD17B1
SCHEMBL2945799 0.77 MKNK1 (0.71) MKNK1MKNK2OXTRNNMTHSD17B1
SCHEMBL3728756 0.75 MKNK1 (0.56) MKNK1MKNK2GPR183HSD17B1HSD17B2
SCHEMBL3728757 0.75 MKNK1 (0.56) MKNK1MKNK2GPR183HSD17B1HSD17B2
SCHEMBL34467450 0.75 NNMT (0.57) MKNK1MKNK2GPR183OXTRNNMT
SCHEMBL12582087 0.75 MKNK1 (0.68) MKNK1MKNK2OXTRNNMTHSD17B1

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-2322507-A1 Matrix metalloproteinase inhibitors Ranbaxy Laboratories Limited (IN) 2011-05-18 EP disclosed