SCHEMBL1636167

SCHEMBL1636167

COc1ccc(C(=O)NCC(=O)O)cc1SP(=O)(OC)OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.53
PDE4B Q07343 1/20 0.53
PDE4C Q08493 1/20 0.53
PDE4D Q08499 1/20 0.53
SMN1; SMN2 Q16637 4/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
HPGD P15428 1/20 0.45
POLB P06746 1/20 0.45
NR1H4 Q96RI1 1/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
GAA P10253 1/20 0.44
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 1/20 0.42
TP53 P04637 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL1635875 0.89 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL1635174 0.89 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL1634932 0.86 NPC1 (0.49) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL8178988 0.80 PDE4A (0.71) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL1634124 0.77 PDE4A (0.61) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL15968774 0.76 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL1635889 0.75 PDE4A (0.62) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL31465194 0.74 HTT (0.61) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL6138174 0.74 HTT (0.61) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL15572275 0.74 TSHR (0.67) PDE4APDE4BPDE4CPDE4DSMN1; SMN2

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
US-7932242-B2 Anticancer agents; radiation and chemical resistance TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2011-04-26 US disclosed