SCHEMBL7112411

SCHEMBL7112411

CCCCOC(=O)NC(CO[Si](C)(C)C(C)(C)C)C(=O)OC

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 4/20 0.36
▸ ITGA2B P08514 4/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ EPHX1 P07099 1/20 0.36
▸ ACHE P22303 6/20 0.35
▸ BIRC2 Q13490 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL3617062 0.81 CTSK (0.41) CA1CA2
SCHEMBL4745237 0.81 CTSK (0.41) CA1CA2
SCHEMBL3617063 0.81 CTSK (0.41) CA1CA2
SCHEMBL2225087 0.81 ITGB3 (0.41) ITGB3ITGA2BRAB9A
SCHEMBL30759826 0.80 LMNA (0.39) SMN1; SMN2
SCHEMBL3822519 0.80 SMN1; SMN2 (0.42) ITGB3ITGA2BRAB9ABIRC2NPC1
SCHEMBL15528058 0.79 RAB9A (0.42) RAB9AACHENPC1SMN1; SMN2
SCHEMBL1863959 0.79 BTN3A1 (0.33) —
SCHEMBL1696818 0.77 CA1 (0.46) RAB9ACA1CA2EPHX1ACHE
SCHEMBL20683487 0.77 CA1 (0.46) RAB9ACA1CA2EPHX1ACHE

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-1351925-A1 PRODRUGS OF EXCITATORY AMINO ACIDS ELI LILLY AND COMPANY (US) 2003-10-15 — — EP disclosed
WO-2002055485-A1 PRODRUGS OF EXCITATORY AMINO ACIDS ELI LILLY AND COMPANY (US) 2002-07-18 — — WO disclosed
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