SCHEMBL29964734

SCHEMBL29964734

COc1ccc(C(N[C@H](CCC(=O)O)C(=O)O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.50
KEAP1 Q14145 2/20 0.50
MMP2 P08253 3/20 0.43
MMP9 P14780 3/20 0.43
MMP12 P39900 2/20 0.43
FPR2 P25090 1/20 0.43
FOLH1 Q04609 1/20 0.42
ADAMTS4 O75173 1/20 0.42
ADAMTS5 Q9UNA0 1/20 0.42
NAALAD2 Q9Y3Q0 1/20 0.42
GGH Q92820 1/20 0.42

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
SCHEMBL13726857 0.88 NAALAD2 (0.51) MMP9FOLH1ADAMTS4ADAMTS5NAALAD2
SCHEMBL4627986 0.88 NAALAD2 (0.51) MMP9FOLH1ADAMTS4ADAMTS5NAALAD2
SCHEMBL4627982 0.88 NAALAD2 (0.51) MMP9FOLH1ADAMTS4ADAMTS5NAALAD2
SCHEMBL28326846 0.87 KIF11 (0.50) KIF11FPR2
SCHEMBL29965194 0.87 KIF11 (0.46) KIF11KEAP1ADAMTS4ADAMTS5
SCHEMBL29964852 0.87 KIF11 (0.49) KIF11KEAP1FPR2
SCHEMBL4970029 0.84 KIF11 (0.49) KIF11FPR2
SCHEMBL7603846 0.84 KIF11 (0.50) KIF11MMP2MMP9FPR2
SCHEMBL17274480 0.84 KIF11 (0.50) KIF11MMP2MMP9FPR2
SCHEMBL2255754 0.83 NAALAD2 (0.45) MMP9FOLH1ADAMTS4ADAMTS5NAALAD2

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-4092038-A1 OPIOID AGONIST PEPTIDES AND USES THEREOF Protagonist Therapeutics, Inc. (US) 2022-11-23 EP disclosed