SCHEMBL9536094

SCHEMBL9536094

CC(C)(C)OC(=O)NCC(C=O)c1ccc(I)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.39
SERPINE1 P05121 1/20 0.37
CTSK P43235 4/20 0.36
ATM Q13315 1/20 0.36
PTPN11 Q06124 1/20 0.36
CTSS P25774 1/20 0.36
PCSK9 Q8NBP7 1/20 0.36
MALT1 Q9UDY8 1/20 0.36
AAK1 Q2M2I8 2/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM4A O75164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34

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
SCHEMBL9417108 0.86 GAA (0.45) SYKSERPINE1CTSKATMGAA
SCHEMBL3648358 0.86 CTSK (0.49) SYKCTSKATMPTPN11CTSS
SCHEMBL9938243 0.84 CTSS (0.46) SYKCTSKATMCTSSMALT1
SCHEMBL165863 0.82 SYK (0.41) SYKSERPINE1CTSKCTSSPCSK9
SCHEMBL1760230 0.82 NPC1 (0.43) SYKSERPINE1CTSKCTSSPCSK9
SCHEMBL3996179 0.81 GAA (0.41) CTSKGAA
SCHEMBL6167126 0.80 KDM4A (0.44) SYKCTSKCTSSMALT1MEN1
SCHEMBL9533724 0.78 SYK (0.51) SYKMEN1KMT2A
SCHEMBL4367633 0.78 SERPINE1 (0.39) SYKSERPINE1CTSKATMCTSS
SCHEMBL3654576 0.77 CTSS (0.46) SYKSERPINE1CTSKCTSS

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
EP-0532693-A1 1,4-DIAMINO-2,3-DIHYDROXYBUTANES THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1993-03-24 EP disclosed