SCHEMBL25697015

SCHEMBL25697015

COc1cc2oc(=O)c(C(=O)O)cc2cc1N

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.61
CA1 P00915 5/20 0.61
CA6 P23280 5/20 0.61
CA7 P43166 5/20 0.61
CA9 Q16790 5/20 0.61
CA14 Q9ULX7 5/20 0.61
CA5B Q9Y2D0 5/20 0.61
CA5A P35218 4/20 0.61
CA2 P00918 4/20 0.61
CA3 P07451 4/20 0.61
KDM4E B2RXH2 4/20 0.61
ALDH1A1 P00352 4/20 0.61
SLC16A3 O15427 3/20 0.61
HPGD P15428 2/20 0.61
GPR35 Q9HC97 11/20 0.61
CA4 P22748 4/20 0.56
MAOB P27338 2/20 0.54
MAOA P21397 1/20 0.51
TSHR P16473 1/20 0.50
GRIN1 Q05586 1/20 0.50

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
SCHEMBL13740054 0.89 CA12 (0.66) CA12CA1CA6CA7CA9
SCHEMBL25696504 0.85 CA12 (0.61) CA12CA1CA6CA7CA9
SCHEMBL25209186 0.84 GPR35 (0.60) CA12CA1CA6CA7CA9
SCHEMBL27866083 0.84 GPR35 (0.70) CA12CA1CA6CA7CA9
SCHEMBL30425364 0.84 GPR35 (0.60) CA12CA1CA6CA7CA9
SCHEMBL1406162 0.84 GPR35 (0.60) CA12CA1CA6CA7CA9
SCHEMBL1406281 0.84 GPR35 (0.67) CA12CA1CA6CA7CA9
SCHEMBL1406460 0.82 GPR35 (0.58) CA12CA1CA6CA7CA9
SCHEMBL25235760 0.82 MAOB (0.65) CA12CA1CA6CA7CA9
SCHEMBL25697053 0.81 GPR35 (0.68) CA12CA1CA6CA7CA9

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-2023094734-A1 LIGANDS SPECIFICALLY TARGETING VESICULAR GLUTAMATE TRANSPORTERS FOR SUPER-RESOLUTION IMAGING Sorbonne Université (FR) 2023-06-01 WO disclosed