SCHEMBL8439734

SCHEMBL8439734

CC1=C(c2cccc(C)c2)C(=O)N(O)C1=O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.39
CA12 O43570 2/20 0.38
CA9 Q16790 2/20 0.38
NOTUM Q6P988 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP2 O95551 1/20 0.37
ACHE P22303 1/20 0.37
PTPN5 P54829 1/20 0.36
HSP90AA1 P07900 1/20 0.36
MGLL Q99685 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
DHODH Q02127 1/20 0.36
MAOB P27338 1/20 0.36
KMO O15229 1/20 0.36
XDH P47989 1/20 0.36

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
SCHEMBL9837439 0.71 RAB9A (0.41) NOTUMKMT2ATDP2ACHEHSP90AA1
SCHEMBL9667604 0.70 MAPT (0.49) L3MBTL1CA12CA9NOTUMKMT2A
SCHEMBL3729848 0.68 CAMK2D (0.44) L3MBTL1NOTUMACHEXDH
SCHEMBL301247 0.67 ACHE (0.69) KMT2AACHEPTPN5DHODH
SCHEMBL29373699 0.67 ACHE (0.69) KMT2AACHEPTPN5DHODH
SCHEMBL31471473 0.67 ACHE (0.69) KMT2AACHEPTPN5DHODH
SCHEMBL3876865 0.66 PTGS2 (0.44) KMT2AHSP90AA1
SCHEMBL10724036 0.66 GLO1 (0.50)
SCHEMBL19577801 0.65 ACHE (0.65) KMT2AACHEPTPN5DHODH
SCHEMBL18797759 0.65 ACHE (0.65) KMT2AACHEPTPN5

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-0495544-B1 Process for the synthesis of citraconimides AKZO NOBEL NV (NL) 1999-04-07 EP disclosed