SCHEMBL25100805

SCHEMBL25100805

O=C(OC1C(O)C(O)C(CO)OC1n1ccc2ccccc21)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LGALS9 O00182 5/20 0.53
▸ LGALS1 P09382 5/20 0.53
▸ LGALS3 P17931 5/20 0.53
▸ LGALS7; LGALS7B P47929 4/20 0.53
▸ LGALS8 O00214 3/20 0.46
▸ LMNA P02545 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ MTOR P42345 1/20 0.43
▸ MDM2 Q00987 1/20 0.43
▸ NCOA1 Q15788 1/20 0.43
▸ NCOA3 Q9Y6Q9 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ POLB P06746 2/20 0.41
▸ CD69 Q07108 1/20 0.40
▸ GAPDH P04406 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ USP2 O75604 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ SLC28A1 O00337 1/20 0.40
▸ SLC28A2 O43868 1/20 0.40

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
SCHEMBL30295307 0.87 LGALS9 (0.49) LGALS9LGALS1LGALS3LGALS7; LGALS7BLGALS8
SCHEMBL25100803 0.85 LGALS9 (0.45) LGALS9LGALS1LGALS3LGALS7; LGALS7BLGALS8
SCHEMBL25101159 0.85 GSK3A (0.40) LGALS9LGALS1LGALS3LGALS7; LGALS7BLGALS8
SCHEMBL30295230 0.82 LGALS9 (0.45) LGALS9LGALS1LGALS3LGALS7; LGALS7BLGALS8
SCHEMBL2981353 0.80 LMNA (0.56) LMNATHRBMTORMDM2NCOA1
SCHEMBL4141706 0.80 LMNA (0.56) LMNATHRBMTORMDM2NCOA1
SCHEMBL23982553 0.80 LMNA (0.56) LMNATHRBMTORMDM2NCOA1
SCHEMBL20419148 0.80 LMNA (0.56) LMNATHRBMTORMDM2NCOA1
SCHEMBL219357 0.78 LMNA (0.54) LMNATHRBMTORMDM2NCOA1
SCHEMBL155587 0.78 LMNA (0.54) LMNATHRBMTORMDM2NCOA1

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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