SCHEMBL30295307

SCHEMBL30295307

O=C(O[C@@H]1[C@@H](OP(=O)(O)O)[C@H](O)[C@@H](CO)O[C@H]1n1ccc2ccccc21)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LGALS9 O00182 4/20 0.49
▸ LGALS1 P09382 4/20 0.49
▸ LGALS3 P17931 4/20 0.49
▸ LGALS7; LGALS7B P47929 3/20 0.49
▸ LGALS8 O00214 2/20 0.43
▸ ADORA1 P30542 1/20 0.42
▸ P2RY11 Q96G91 2/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ P2RX3 P56373 2/20 0.40
▸ P2RX4 Q99571 2/20 0.40
▸ P2RX2 Q9UBL9 2/20 0.40
▸ P2RX6 O15547 1/20 0.39
▸ P2RX1 P51575 1/20 0.39
▸ P2RX5 Q93086 1/20 0.39
▸ P2RX7 Q99572 1/20 0.39
▸ GAPDH P04406 1/20 0.38
▸ NT5E P21589 1/20 0.38
▸ P2RY6 Q15077 1/20 0.38

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
SCHEMBL30295230 0.89 LGALS9 (0.45) LGALS9LGALS1LGALS3LGALS7; LGALS7BLGALS8
SCHEMBL30295350 0.87 ADORA1 (0.43) LGALS9LGALS1LGALS3LGALS7; LGALS7BLGALS8
SCHEMBL25100805 0.87 LGALS9 (0.53) LGALS9LGALS1LGALS3LGALS7; LGALS7BLGALS8
SCHEMBL30295293 0.87 ADORA1 (0.39) LGALS9LGALS1LGALS3LGALS7; LGALS7BLGALS8
SCHEMBL30295354 0.79 LGALS9 (0.39) LGALS9LGALS1LGALS3LGALS7; LGALS7BLGALS8
SCHEMBL30295326 0.78 TK2 (0.36) LGALS9LGALS1LGALS3LGALS7; LGALS7BLGALS8
SCHEMBL31082815 0.74 P2RY2 (0.39) LGALS9LGALS1LGALS3LGALS7; LGALS7BLGALS8
SCHEMBL25100803 0.74 LGALS9 (0.45) LGALS9LGALS1LGALS3LGALS7; LGALS7BLGALS8
SCHEMBL12404750 0.74 POLB (0.66) LGALS9LGALS1LGALS3LGALS7; LGALS7BPOLB
SCHEMBL29392593 0.74 POLB (0.66) LGALS9LGALS1LGALS3LGALS7; LGALS7BPOLB

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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