SCHEMBL11345815

SCHEMBL11345815

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.50
ALDH1A1 P00352 7/20 0.50
HPGD P15428 6/20 0.50
HSD17B10 Q99714 2/20 0.50
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
GLA P06280 1/20 0.49
GAA P10253 1/20 0.49
CA12 O43570 3/20 0.47
CA9 Q16790 3/20 0.47
CA1 P00915 2/20 0.47
RAB9A P51151 4/20 0.42
TDP1 Q9NUW8 3/20 0.42
SIRT5 Q9NXA8 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 3/20 0.40
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 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
SCHEMBL11349683 0.92 KDM4E (0.51) KDM4EALDH1A1HPGDHSD17B10KMT2A
SCHEMBL29385965 0.92 KDM4E (0.51) KDM4EALDH1A1HPGDHSD17B10KMT2A
SCHEMBL29543502 0.92 CA12 (0.48) KDM4EALDH1A1HPGDHSD17B10KMT2A
SCHEMBL11350787 0.90 KDM4E (0.46) KDM4EALDH1A1HPGDHSD17B10KMT2A
SCHEMBL31301807 0.90 KDM4E (0.46) KDM4EALDH1A1HPGDHSD17B10KMT2A
SCHEMBL14941064 0.87 CA12 (0.48) KDM4EALDH1A1HPGDHSD17B10KMT2A
SCHEMBL30510955 0.87 CA12 (0.48) KDM4EALDH1A1HPGDHSD17B10KMT2A
SCHEMBL11354452 0.86 CA12 (0.46) KDM4EALDH1A1HPGDHSD17B10KMT2A
SCHEMBL7206896 0.86 KDM4E (0.47) KDM4EALDH1A1HPGDHSD17B10KMT2A
SCHEMBL7206886 0.86 KDM4E (0.47) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0000063-B1 DIPEPTIDE DERIVATIVES OF 7-(N-ALPHA-SUBSTITUTED OR NON-SUBSTITUTED X-ARGINYL)-AMINO-4-METHYL-COUMARIN AJINOMOTO CO., INC. (JP) 1981-06-10 EP disclosed
EP-0000063-A1 Dipeptide derivatives of 7-(N-alpha-substituted or non-substituted X-arginyl)-amino-4-methyl-coumarin AJINOMOTO CO., INC. (JP) 1978-12-20 EP disclosed