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Sugi Predict / Compounds / SCHEMBL8215769

SCHEMBL8215769

SCHEMBL8215769

C[C@H](F)CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SMYD2 Q9NRG4 3/20 0.39
▸ CYP3A4 P08684 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ RIPK1 Q13546 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
SCHEMBL28946558 0.85 SMYD2 (0.41) SMYD2CYP3A4HTTSMN1; SMN2RIPK1
SCHEMBL26651024 0.85 SMYD2 (0.39) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL28946557 0.85 SMYD2 (0.41) SMYD2CYP3A4HTTSMN1; SMN2RIPK1
SCHEMBL4815429 0.85 SMYD2 (0.41) SMYD2CYP3A4HTTSMN1; SMN2RIPK1
SCHEMBL28428528 0.84 CYP3A4 (0.38) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL4264816 0.83 CYP3A4 (0.38) SMYD2CYP3A4HTTSMN1; SMN2RIPK1
SCHEMBL3860447 0.82 CYP3A4 (0.36) SMYD2CYP3A4HTTSMN1; SMN2RIPK1
SCHEMBL3854853 0.82 SMYD2 (0.38) SMYD2CYP3A4HTTSMN1; SMN2RIPK1
SCHEMBL5026273 0.82 SMYD2 (0.38) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL5026278 0.82 SMYD2 (0.38) SMYD2CYP3A4HTTSMN1; SMN2

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-1058686-A1 2'-FLUORONUCLEOSIDES EMORY UNIVERSITY (US) 2000-12-13 — — EP disclosed
WO-1999043691-A1 2'-FLUORONUCLEOSIDES EMORY UNIVERSITY (US) 1999-09-02 — — WO disclosed