SCHEMBL4752129

SCHEMBL4752129

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

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4A O75164 1/20 0.34
LATS1 O95835 2/20 0.34
LATS2 Q9NRM7 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CA12 O43570 3/20 0.34
CA1 P00915 3/20 0.34
CA2 P00918 3/20 0.34
CA9 Q16790 3/20 0.34
PTPN11 Q06124 1/20 0.34
MALT1 Q9UDY8 1/20 0.33
IDO1 P14902 1/20 0.33
HDAC1 Q13547 1/20 0.33
NAMPT P43490 1/20 0.33
AKT1 P31749 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL851695 0.77 NPSR1 (0.49) IDO1LMNAPOLB
SCHEMBL12494028 0.76 TRPV1 (0.34)
SCHEMBL28587432 0.73 CACNA1G (0.44) TDP1LMNAPOLB
SCHEMBL3017280 0.72 L3MBTL1 (0.54) KDM4ATDP1CA12CA1CA2
SCHEMBL16935831 0.71 MALT1 (0.50) LATS1TDP1CA12CA1CA2
SCHEMBL5663146 0.71 DGAT1 (0.49) TDP1MALT1NAMPTLMNAPOLB
SCHEMBL3699220 0.71 SHBG (0.49) KDM4ATDP1LMNA
SCHEMBL398349 0.70 EPHX2 (0.42) KDM4ATDP1CA12CA1CA2
SCHEMBL17570719 0.70 ALDH1A1 (0.39) KDM4ATDP1CA12CA1CA2
SCHEMBL11961188 0.70 CA2 (0.55) TDP1CA1CA2IDO1NAMPT

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-2008143729-A2 MACROLIDE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME RIB-X PHARMACEUTICALS, INC. (US) 2008-11-27 WO disclosed
WO-2008106225-A1 MACROLIDE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME RIB-X PHARMACEUTICALS, INC. (US) 2008-09-04 WO disclosed