SCHEMBL30295350

SCHEMBL30295350

Nc1ccccc1C(=O)O[C@@H]1[C@@H](OP(=O)(O)O)[C@H](O)[C@@H](CO)O[C@H]1n1ccc2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 1/20 0.43
▸ LGALS9 O00182 3/20 0.42
▸ LGALS1 P09382 3/20 0.42
▸ LGALS3 P17931 3/20 0.42
▸ LGALS7; LGALS7B P47929 3/20 0.42
▸ LGALS8 O00214 2/20 0.42
▸ TAS1R3 Q7RTX0 1/20 0.40
▸ TAS1R1 Q7RTX1 1/20 0.40
▸ CYP2C19 P33261 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ P2RX1 P51575 1/20 0.39
▸ P2RX3 P56373 1/20 0.39
▸ P2RX4 Q99571 1/20 0.39
▸ P2RX7 Q99572 1/20 0.39
▸ P2RX2 Q9UBL9 1/20 0.39
▸ P2RY2 P41231 2/20 0.38
▸ P2RY12 Q9H244 1/20 0.38
▸ LMNA P02545 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ MTOR P42345 1/20 0.36

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
SCHEMBL30295354 0.89 LGALS9 (0.39) ADORA1LGALS9LGALS1LGALS3LGALS7; LGALS7B
SCHEMBL25100803 0.88 LGALS9 (0.45) LGALS9LGALS1LGALS3LGALS7; LGALS7BLGALS8
SCHEMBL30295307 0.87 LGALS9 (0.49) ADORA1LGALS9LGALS1LGALS3LGALS7; LGALS7B
SCHEMBL30295293 0.83 ADORA1 (0.39) ADORA1LGALS9LGALS1LGALS3LGALS7; LGALS7B
SCHEMBL1736995 0.79 LGALS3 (0.43) ADORA1LGALS9LGALS1LGALS3LGALS7; LGALS7B
SCHEMBL30398021 0.79 LGALS3 (0.43) ADORA1LGALS9LGALS1LGALS3LGALS7; LGALS7B
SCHEMBL30295230 0.78 LGALS9 (0.45) LGALS9LGALS1LGALS3LGALS7; LGALS7BLGALS8
SCHEMBL5794839 0.75 SLC28A1 (0.58) P2RY2P2RY12
SCHEMBL5794836 0.75 SLC28A1 (0.58) P2RY2P2RY12
SCHEMBL31082815 0.74 P2RY2 (0.39) LGALS9LGALS1LGALS3LGALS7; LGALS7BLGALS8

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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