SCHEMBL14878519

SCHEMBL14878519

CC[C@@H](C[C@@H](COC(c1ccccc1)(c1ccc(OC)cc1)c1ccc(OC)cc1)NC(=O)OCc1ccccc1)O[Si](C)(C)C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 1/20 0.42
▸ ATM Q13315 2/20 0.42
▸ CTSK P43235 4/20 0.39
▸ CTSL P07711 3/20 0.39
▸ CTSS P25774 3/20 0.39
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ ACHE P22303 1/20 0.37
▸ ITGB3 P05106 2/20 0.37
▸ ITGA2B P08514 2/20 0.37
▸ CTRB1 P17538 2/20 0.37
▸ PRSS1 P07477 1/20 0.36
▸ PRSS2 P07478 1/20 0.36
▸ PRSS3 P35030 1/20 0.36
▸ TPSAB1 Q15661 1/20 0.36
▸ HDAC8 Q9BY41 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
SCHEMBL14878516 0.84 ATM (0.50) SYKATMCTSKCTSLCTSS
SCHEMBL13032794 0.72 HDAC6 (0.47) SYKATMHDAC8
SCHEMBL11886701 0.72 SYK (0.54) SYKATMCTSKCTSLCTSS
SCHEMBL27081257 0.72 KIF11 (0.41) —
SCHEMBL27081261 0.72 KIF11 (0.41) —
SCHEMBL27081269 0.72 MEN1 (0.38) —
SCHEMBL27081272 0.72 MEN1 (0.38) —
SCHEMBL7616339 0.71 MEN1 (0.44) ATMCTSKCTSLCTSSCA1
SCHEMBL14370507 0.69 ATM (0.62) SYKATMCTSKCTSLCTSS
SCHEMBL6856061 0.69 MDM2 (0.46) —

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
US-8426377-B2 iRNA agents with biocleavable tethers ALNYLAM PHARMACEUTICALS, INC. (US) 2013-04-23 — — US disclosed
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