SCHEMBL5174128

SCHEMBL5174128

CC(C)(C)OC(=O)N(C(=O)OCc1ccccc1)[C@@H](CNC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.55
TPSAB1 Q15661 2/20 0.54
TPSD1 Q9BZJ3 2/20 0.54
TPSG1 Q9NRR2 2/20 0.54
FOLH1 Q04609 2/20 0.44
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
SLC1A3 P43003 1/20 0.43
SLC1A1 P43005 1/20 0.43
PPARA Q07869 1/20 0.42
HTT P42858 1/20 0.41
CTSK P43235 3/20 0.41
CTSL P07711 2/20 0.41
CTSB P07858 2/20 0.41
CTSS P25774 2/20 0.41

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
SCHEMBL5181769 0.93 SYK (0.60) SYKTPSAB1TPSD1TPSG1FOLH1
SCHEMBL5182247 0.87 TPSAB1 (0.67) SYKTPSAB1TPSD1TPSG1FOLH1
SCHEMBL18076338 0.84 TPSAB1 (0.47) SYKTPSAB1TPSD1TPSG1SMN1; SMN2
SCHEMBL5182680 0.84 TPSAB1 (0.47) SYKTPSAB1TPSD1TPSG1SMN1; SMN2
SCHEMBL19586697 0.82 TPSAB1 (0.46) SYKTPSAB1TPSD1TPSG1CTSK
Water SCHEMBL1238348 0.81 TPSAB1 (0.45) SYKTPSAB1TPSD1TPSG1CTSK
SCHEMBL17459537 0.81 TPSAB1 (0.45) SYKTPSAB1TPSD1TPSG1LMNA
SCHEMBL2748058 0.80 TPSAB1 (0.59) SYKTPSAB1TPSD1TPSG1FOLH1
SCHEMBL1937057 0.80 ABCB1 (0.46) SYKTPSAB1TPSD1TPSG1
SCHEMBL212881 0.80 SYK (0.55) SYKTPSAB1TPSD1TPSG1FOLH1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1869068-A1 ANTIBACTERIAL AMIDE-MACROCYCLES V AiCuris GmbH & Co. KG (DE) 2007-12-26 EP disclosed
EP-1797110-A1 ANTIBACTERIAL AMIDE MACROCYCLES IV AiCuris GmbH & Co. KG (DE) 2007-06-20 EP disclosed
WO-2006103015-A1 ANTIBACTERIAL AMIDE-MACROCYCLES V AICURIS GMBH & CO. KG (DE) 2006-10-05 WO disclosed
WO-2006034786-A1 ANTIBACTERIAL AMIDE MACROCYCLES IV AICURIS GMBH & CO.KG (DE) 2006-04-06 WO disclosed