SCHEMBL11468261

SCHEMBL11468261

CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)Nc1ccc2c(C)cc(=O)oc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.52
ALDH1A1 P00352 6/20 0.52
HPGD P15428 5/20 0.52
HSD17B10 Q99714 2/20 0.52
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
GLA P06280 1/20 0.49
GAA P10253 1/20 0.49
TDP1 Q9NUW8 3/20 0.45
RAB9A P51151 6/20 0.44
NPC1 O15118 5/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
CA12 O43570 3/20 0.43
CA1 P00915 3/20 0.43
CA9 Q16790 3/20 0.43
MAPT P10636 1/20 0.39

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
SCHEMBL11463028 0.89 KDM4E (0.57) KDM4EALDH1A1HPGDHSD17B10KMT2A
SCHEMBL11459005 0.88 KDM4E (0.56) KDM4EALDH1A1HPGDHSD17B10KMT2A
SCHEMBL29851098 0.87 KDM4E (0.48) KDM4EALDH1A1HPGDHSD17B10KMT2A
SCHEMBL11462871 0.85 KDM4E (0.51) KDM4EALDH1A1HPGDHSD17B10KMT2A
SCHEMBL11465811 0.85 KDM4E (0.51) KDM4EALDH1A1HPGDHSD17B10KMT2A
SCHEMBL4245707 0.85 KDM4E (0.49) KDM4EALDH1A1HPGDHSD17B10KMT2A
SCHEMBL3258147 0.84 CA12 (0.56) KDM4EALDH1A1HPGDHSD17B10KMT2A
SCHEMBL11442830 0.84 CA12 (0.56) KDM4EALDH1A1HPGDHSD17B10KMT2A
SCHEMBL29544308 0.84 CA12 (0.56) KDM4EALDH1A1HPGDHSD17B10KMT2A
SCHEMBL31301807 0.84 KDM4E (0.46) KDM4EALDH1A1HPGDHSD17B10KMT2A

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
US-4237047-A FLUORESCENT SUBSTRATE FOR MEASURING ENZYME ACTIVITY AJINOMOTO COMPANY, INCORPORATED (JP) 1980-12-02 US disclosed