SCHEMBL25100657

SCHEMBL25100657

OCC1O[C@@H](n2ccc3ccccc32)C(O)C(O)[C@@H]1O

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.54
THRB P10828 1/20 0.54
MTOR P42345 1/20 0.54
MDM2 Q00987 1/20 0.54
NCOA1 Q15788 1/20 0.54
NCOA3 Q9Y6Q9 1/20 0.54
SLC28A1 O00337 1/20 0.53
SLC28A2 O43868 1/20 0.53
SLC29A1 Q99808 1/20 0.53
SLC28A3 Q9HAS3 1/20 0.53
MAPT P10636 1/20 0.51
CDA P32320 1/20 0.51
SLC5A2 P31639 5/20 0.51
SLC5A1 P13866 1/20 0.51
ADK P55263 4/20 0.48
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL30186595 1.00 LMNA (0.54) LMNATHRBMTORMDM2NCOA1
SCHEMBL155587 1.00 LMNA (0.54) LMNATHRBMTORMDM2NCOA1
SCHEMBL147428 1.00 LMNA (0.54) LMNATHRBMTORMDM2NCOA1
SCHEMBL219357 1.00 LMNA (0.54) LMNATHRBMTORMDM2NCOA1
SCHEMBL30186598 1.00 LMNA (0.54) LMNATHRBMTORMDM2NCOA1
SCHEMBL20419148 0.98 LMNA (0.56) LMNATHRBMTORMDM2NCOA1
SCHEMBL2981353 0.98 LMNA (0.56) LMNATHRBMTORMDM2NCOA1
SCHEMBL23982553 0.98 LMNA (0.56) LMNATHRBMTORMDM2NCOA1
SCHEMBL4141706 0.98 LMNA (0.56) LMNATHRBMTORMDM2NCOA1
SCHEMBL1777532 0.82 LMNA (0.49) 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