SCHEMBL12480413

SCHEMBL12480413

Cc1cc(=O)oc2cc(NC(=O)CC[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)O)ccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC17A5 Q9NRA2 1/20 0.58
KDM4E B2RXH2 6/20 0.53
ALDH1A1 P00352 6/20 0.53
HPGD P15428 6/20 0.53
GLA P06280 1/20 0.53
GAA P10253 1/20 0.53
KMT2A Q03164 3/20 0.52
RAB9A P51151 3/20 0.52
HSD17B10 Q99714 2/20 0.52
MEN1 O00255 2/20 0.52
POLB P06746 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.49
NPC1 O15118 2/20 0.49
TDP1 Q9NUW8 4/20 0.49
TLR2 O60603 2/20 0.48
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
CA12 O43570 1/20 0.44

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
SCHEMBL29829450 0.89 SLC17A5 (0.54) SLC17A5KDM4EALDH1A1HPGDGLA
SCHEMBL29804846 0.89 SLC17A5 (0.54) SLC17A5KDM4EALDH1A1HPGDGLA
SCHEMBL29829025 0.85 SLC17A5 (0.55) SLC17A5KDM4EALDH1A1HPGDGLA
SCHEMBL22702156 0.81 TLR2 (0.57) SLC17A5KMT2ATLR2CASP3
SCHEMBL28686934 0.81 TLR2 (0.57) SLC17A5KMT2ATLR2CASP3
SCHEMBL31369887 0.79 TLR2 (0.53) SLC17A5KMT2ATLR2CASP3
SCHEMBL31370150 0.79 TLR2 (0.53) SLC17A5TLR2CASP3
SCHEMBL15374822 0.79 ALDH1A1 (0.70) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL31369789 0.79 FOLH1 (0.54) SLC17A5POLBTLR2CASP3
SCHEMBL31369717 0.79 EPHX2 (0.52) SLC17A5KMT2AMEN1TLR2CASP3

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
WO-2011089257-A1 METHOD FOR DETERMINING THE ACTIVITY OF TRANSGLUTAMINASE FACTOR XIIIA PHILIPPS-UNIVERSITÄT MARBURG (DE) 2011-07-28 WO disclosed
EP-2348038-A1 Method for determining the activity of transglutaminase factor XIIIa PHILIPPS-UNIVERSITÄT MARBURG (DE) 2011-07-27 EP disclosed