SCHEMBL25101174

SCHEMBL25101174

CC(C)(C)OC(=O)Nc1ccccc1C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LGALS9 O00182 1/20 0.46
▸ LGALS1 P09382 1/20 0.46
▸ LGALS3 P17931 1/20 0.46
▸ LGALS7; LGALS7B P47929 1/20 0.46
▸ SLC5A1 P13866 1/20 0.43
▸ SLC5A2 P31639 1/20 0.43
▸ SLC28A3 Q9HAS3 2/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ EPHX2 P34913 1/20 0.40
▸ LGALS8 O00214 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ TYR P14679 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ IDO1 P14902 1/20 0.39
▸ MAOB P27338 1/20 0.39

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
SCHEMBL4652290 0.77 SLC28A3 (0.55) LGALS9LGALS1LGALS3LGALS7; LGALS7BSLC5A1
SCHEMBL6739168 0.77 LGALS3 (0.51) LGALS9LGALS1LGALS3LGALS7; LGALS7BSLC5A1
SCHEMBL29278300 0.77 LGALS3 (0.51) LGALS9LGALS1LGALS3LGALS7; LGALS7BSLC5A1
Hydrochloric Acid SCHEMBL28792398 0.76 LGALS3 (0.50) LGALS9LGALS1LGALS3LGALS7; LGALS7BSLC5A1
SCHEMBL30441333 0.74 LGALS9 (0.48) LGALS9LGALS1LGALS3LGALS7; LGALS7BSLC5A1
SCHEMBL11412734 0.74 SLC28A3 (0.53) LGALS9LGALS1LGALS3LGALS7; LGALS7BSLC5A1
SCHEMBL10790249 0.74 POLB (0.48) LGALS9LGALS1LGALS3LGALS7; LGALS7BSLC5A1
SCHEMBL28033115 0.74 RXFP1 (0.52) RXFP1MEN1MAPTKMT2APOLB
SCHEMBL9330701 0.73 KMT2A (0.61) RXFP1MAPTKMT2APOLB
SCHEMBL8762538 0.72 LGALS9 (0.60) LGALS9LGALS1LGALS3LGALS7; LGALS7BSLC28A3

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-2023028350-A1 THERAPEUTIC COMPOSITIONS AND RELATED METHODS BOYCE THOMPSON INSTITUTE FOR PLANT RESEARCH, INC. (US) 2023-03-02 — — WO disclosed
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