SCHEMBL7698073

SCHEMBL7698073

COCCNC(=O)c1ccc2c(Oc3ccc(CC(CO)N(Cc4ccccc4)CC(O)COc4ccccc4)cc3)ccnc2c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MET P08581 8/20 0.43
KDR P35968 6/20 0.43
AURKA O14965 5/20 0.43
TEK Q02763 5/20 0.43
LCK P06239 3/20 0.41
AURKB Q96GD4 2/20 0.41
LYN P07948 1/20 0.41
FLT1 P17948 1/20 0.41
LOX P28300 4/20 0.39
LOXL2 Q9Y4K0 4/20 0.39
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
LMNA P02545 1/20 0.36
NPC1 O15118 1/20 0.36
LPAR1 Q92633 2/20 0.35
LPAR5 Q9H1C0 2/20 0.35

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
SCHEMBL7698067 1.00 MET (0.43) METKDRAURKATEKLCK
SCHEMBL7694588 0.94 SPHK2 (0.38) METKDRAURKATEKLCK
SCHEMBL7687505 0.92 MET (0.38) METKDRAURKATEKLCK
SCHEMBL7692473 0.91 MET (0.38) METKDRAURKATEKLCK
SCHEMBL7693432 0.90 MET (0.39) METKDRAURKATEKLCK
SCHEMBL7693347 0.90 MET (0.35) METKDRAURKATEKLCK
SCHEMBL7688923 0.89 MAPT (0.38) METKDRFLT1CYP3A4CYP2D6
SCHEMBL7689561 0.89 MET (0.40) METCYP3A4CYP2D6LPAR1LPAR5
SCHEMBL7693606 0.89 F2 (0.37) METCYP2D6LMNANPC1LPAR1
SCHEMBL7686564 0.89 LPAR1 (0.43) METCYP2D6LPAR1LPAR5

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
WO-2002000622-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-01-03 WO disclosed