SCHEMBL25101187

SCHEMBL25101187

CC(C)[Si]1(C(C)C)OCC2O[C@@H](n3ccc4ccccc43)C(OC(=O)c3ccccc3NC(=O)OC(C)(C)C)C(O)[C@@H]2O[Si](C(C)C)(C(C)C)O1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 1/20 0.31
▸ P2RY2 P41231 2/20 0.31
▸ IDO1 P14902 1/20 0.31
▸ P2RY12 Q9H244 1/20 0.30

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
SCHEMBL30295285 1.00 RXFP1 (0.31) RXFP1P2RY2IDO1P2RY12
SCHEMBL30295359 0.87 MEN1 (0.32) —
SCHEMBL30295273 0.84 HTR3E (0.32) —
SCHEMBL25101152 0.84 HTR3E (0.32) —
SCHEMBL30295377 0.81 — —
SCHEMBL31083369 0.81 — —
SCHEMBL25100658 0.77 OPRM1 (0.32) —
SCHEMBL30295218 0.77 OPRM1 (0.32) —
SCHEMBL31083170 0.75 RXFP1 (0.34) RXFP1IDO1
SCHEMBL30295223 0.72 — —

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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