SCHEMBL30295293

SCHEMBL30295293

O=C(O[C@@H]1[C@@H](OP(=O)(O)O)[C@H](O)[C@@H](CO)O[C@H]1n1ccc2ccccc21)c1ccc[nH]1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ LGALS9 O00182 3/20 0.36
▸ LGALS1 P09382 3/20 0.36
▸ LGALS3 P17931 3/20 0.36
▸ LGALS7; LGALS7B P47929 3/20 0.36
▸ LGALS8 O00214 2/20 0.36
▸ P2RY2 P41231 3/20 0.35
▸ P2RY4 P51582 1/20 0.35
▸ GSK3A P49840 2/20 0.34
▸ RPS6KA3 P51812 2/20 0.34
▸ MAPK14 Q16539 2/20 0.34
▸ P2RY12 Q9H244 1/20 0.34

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
SCHEMBL30295326 0.90 TK2 (0.36) LGALS9LGALS1LGALS3LGALS7; LGALS7BLGALS8
SCHEMBL25101159 0.88 GSK3A (0.40) LGALS9LGALS1LGALS3LGALS7; LGALS7BLGALS8
SCHEMBL30295307 0.87 LGALS9 (0.49) ADORA1CYP2C19HIF1ALGALS9LGALS1
SCHEMBL30295350 0.83 ADORA1 (0.43) ADORA1CYP2C19HIF1ALGALS9LGALS1
SCHEMBL30295230 0.77 LGALS9 (0.45) LGALS9LGALS1LGALS3LGALS7; LGALS7BLGALS8
SCHEMBL30295354 0.74 LGALS9 (0.39) ADORA1LGALS9LGALS1LGALS3LGALS7; LGALS7B
SCHEMBL25100805 0.74 LGALS9 (0.53) LGALS9LGALS1LGALS3LGALS7; LGALS7BLGALS8
SCHEMBL25100803 0.71 LGALS9 (0.45) LGALS9LGALS1LGALS3LGALS7; LGALS7BLGALS8
SCHEMBL31083369 0.69 — —
SCHEMBL30295377 0.69 — —

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4392037-A1 THERAPEUTIC COMPOSITIONS AND RELATED METHODS Boyce Thompson Institute for Plant Research Inc. (US) 2024-07-03 — — EP disclosed
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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