SCHEMBL2666469

SCHEMBL2666469

C=C(OC)c1ccc(OC(=O)c2cc(CO)cc(OCc3ccccc3F)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.48
PARP15 Q460N3 2/20 0.46
PARP10 Q53GL7 2/20 0.46
PARP14 Q460N5 1/20 0.46
GCK P35557 2/20 0.43
RARA P10276 1/20 0.43
RARB P10826 1/20 0.43
RARG P13631 1/20 0.43
LPAR1 Q92633 2/20 0.41
LPAR5 Q9H1C0 2/20 0.41
SCN9A Q15858 1/20 0.41
ALDH1A1 P00352 2/20 0.41
KMT2A Q03164 2/20 0.41
SCN3A Q9NY46 1/20 0.41
LMNA P02545 1/20 0.39
PTPN1 P18031 2/20 0.39
PTPN2 P17706 1/20 0.39
CDC25B P30305 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL14505836 0.91 MAOB (0.51) MAOBPARP15PARP10PARP14GCK
SCHEMBL2650147 0.85 MAOB (0.52) MAOBPARP15PARP10PARP14GCK
SCHEMBL14505837 0.80 MAOB (0.51) MAOBPARP15PARP10PARP14GCK
SCHEMBL14505833 0.77 GCK (0.56) MAOBPARP15PARP10PARP14GCK
SCHEMBL2666412 0.77 MAOB (0.46) MAOBPARP15PARP10PARP14GCK
SCHEMBL14018644 0.76 MAOB (0.51) MAOBPARP15PARP10PARP14GCK
SCHEMBL14505835 0.76 MAOB (0.59) MAOBPARP15PARP10PARP14GCK
SCHEMBL2177575 0.73 MAOB (0.51) MAOBALDH1A1LMNAKDM4EMAPT
SCHEMBL711371 0.73 MAOB (0.56) MAOBPARP15PARP10PARP14GCK
SCHEMBL1444069 0.72 MAOB (0.74) MAOBPARP15PARP10PARP14LPAR1

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
WO-2003000267-A1 AMINO NICOTINATE DERIVATIVES AS GLUCOKINASE (GLK) MODULATORS ASTRAZENECA AB (SE) 2003-01-03 WO disclosed