SCHEMBL4036683

SCHEMBL4036683

COc1ccc(-c2ccc(CCCCC(=O)O)cc2)cn1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.61
MKNK1 Q9BUB5 1/20 0.52
MKNK2 Q9HBH9 1/20 0.52
NPC1 O15118 1/20 0.48
LMNA P02545 1/20 0.48
PKM P14618 1/20 0.48
MAPT P10636 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
HSD17B1 P14061 1/20 0.45
HSD17B2 P37059 1/20 0.45
KDR P35968 1/20 0.44
LTB4R Q15722 1/20 0.44
TBXAS1 P24557 1/20 0.43
FFAR1 O14842 2/20 0.43
HSD17B10 Q99714 1/20 0.43
FAAH O00519 1/20 0.43
SYK P43405 1/20 0.43

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
SCHEMBL1840673 0.90 MKNK1 (0.56) FFAR4MKNK1MKNK2NPC1LMNA
SCHEMBL4039531 0.88 FFAR4 (0.55) FFAR4MKNK1MKNK2NPC1LMNA
SCHEMBL4039020 0.85 FFAR4 (0.48) FFAR4MAPTRXFP1LTB4RTBXAS1
SCHEMBL27513663 0.84 FFAR4 (0.58) FFAR4NPC1LMNAPKMMAPT
SCHEMBL4037637 0.82 TBXAS1 (0.50) MAPTRXFP1TBXAS1FFAR1HSD17B10
SCHEMBL16479585 0.81 CASP3 (0.54) FFAR4MKNK1MKNK2NPC1MAPT
SCHEMBL1842380 0.81 MKNK1 (0.55) FFAR4MKNK1MKNK2NPC1LMNA
SCHEMBL17795639 0.80 MAPT (0.52) MKNK1MKNK2NPC1LMNAMAPT
SCHEMBL13526973 0.79 MKNK1 (0.46) FFAR4MKNK1MKNK2NPC1LMNA
SCHEMBL6069860 0.78 P4HTM (0.58) FFAR4NPC1LMNAPKMFFAR1

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-2074093-A2 MATRIX METALLOPROTEINASE INHIBITORS Ranbaxy Laboratories Limited (IN) 2009-07-01 EP claimed
WO-2008023336-A2 MATRIX METALLOPROTEINASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2008-02-28 WO claimed