SCHEMBL25697126

SCHEMBL25697126

COc1cc(N)cc2cc(C(=O)O)c(=O)oc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 2/20 0.64
▸ CA1 P00915 2/20 0.64
▸ CA2 P00918 2/20 0.64
▸ CA3 P07451 2/20 0.64
▸ CA6 P23280 2/20 0.64
▸ CA5A P35218 2/20 0.64
▸ CA7 P43166 2/20 0.64
▸ CA9 Q16790 2/20 0.64
▸ CA14 Q9ULX7 2/20 0.64
▸ CA5B Q9Y2D0 2/20 0.64
▸ CA4 P22748 1/20 0.64
▸ GPR35 Q9HC97 11/20 0.57
▸ CYP1A2 P05177 1/20 0.57
▸ ALDH1A1 P00352 2/20 0.49
▸ HPGD P15428 2/20 0.48
▸ SLC16A3 O15427 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ POLB P06746 2/20 0.48
▸ HSD17B10 Q99714 2/20 0.48
▸ MAOB P27338 1/20 0.48

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
SCHEMBL27915782 0.83 CNR2 (0.52) CA12CA1CA2CA3CA6
SCHEMBL25697110 0.83 MAPT (0.68) CA12CA1CA2CA3CA6
SCHEMBL1406877 0.79 MAPT (0.73) CA12CA1CA2CA3CA6
SCHEMBL980310 0.78 CA12 (1.00) CA12CA1CA2CA3CA6
Hydrochloric Acid SCHEMBL11339314 0.77 CA12 (0.97) CA12CA1CA2CA3CA6
SCHEMBL25697015 0.77 CA12 (0.61) CA12CA1CA2CA3CA6
SCHEMBL982766 0.74 CA12 (0.68) CA12CA1CA2CA3CA6
SCHEMBL1406414 0.74 CA12 (0.68) CA12CA1CA2CA3CA6
SCHEMBL13740054 0.74 CA12 (0.66) CA12CA1CA2CA3CA6
SCHEMBL25697270 0.74 CA12 (0.56) CA12CA1CA2CA3CA6

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
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