SCHEMBL7855086

SCHEMBL7855086

CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)OCCCc1ccc(C(=O)OC(C)(C)C)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.48
CA2 P00918 1/20 0.47
CA5A P35218 1/20 0.47
CTSK P43235 5/20 0.45
CTSB P07858 3/20 0.45
CTSL P07711 3/20 0.45
CASP1 P29466 2/20 0.45
CTSS P25774 2/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CASP3 P42574 1/20 0.43
CASP7 P55210 1/20 0.43
CASP6 P55212 1/20 0.43
CASP8 Q14790 1/20 0.43
CA1 P00915 1/20 0.42
KLK5 Q9Y337 1/20 0.41
LNPEP Q9UIQ6 2/20 0.41
ERAP2 Q6P179 1/20 0.41
ERAP1 Q9NZ08 1/20 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
SCHEMBL7862112 0.95 SYK (0.46) SYKCA2CA5ACTSKCTSB
SCHEMBL7862146 0.92 CYP3A4 (0.52) SYKCA2CA5ACTSKCTSB
SCHEMBL7860507 0.88 CA2 (0.52) CA2CA5ACTSKCTSBCTSL
SCHEMBL7862070 0.87 CA2 (0.48) CA2CA5ACTSKCTSBCTSL
SCHEMBL3736788 0.83 SYK (0.50) SYKCTSKCTSBCTSLCASP1
SCHEMBL28870540 0.83 SYK (0.50) SYKCTSKCTSBCTSLCASP1
SCHEMBL24131771 0.82 SYK (0.49) SYKCTSKCTSBCTSLCASP1
SCHEMBL3727297 0.81 CA2 (0.53) CA2CA5ACTSKCTSBCTSL
SCHEMBL23748811 0.81 SYK (0.48) SYKCTSKCTSBCTSLCASP1
SCHEMBL23748810 0.81 SYK (0.48) SYKCTSKCTSBCTSLCASP1

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-1121366-A1 PRODRUGS OF PHOSPHOROUS-CONTAINING PHARMACEUTICALS MEDIVIR AB (SE) 2001-08-08 EP disclosed
WO-1999051613-A1 PRODRUGS OF PHOSPHOROUS-CONTAINING PHARMACEUTICALS MEDIVIR AB (SE) 1999-10-14 WO disclosed