SCHEMBL17054345

SCHEMBL17054345

CC(C)[SiH]1O[C@H]2[C@@H](O)[C@H](n3ccc(=O)[nH]c3=O)O[C@@H]2CO[Si](C(C)C)(C(C)C)O1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SLC28A1 O00337 1/20 0.41
▸ SLC28A2 O43868 1/20 0.41
▸ SLC29A1 Q99808 1/20 0.41
▸ SLC28A3 Q9HAS3 1/20 0.41
▸ P2RY2 P41231 11/20 0.38
▸ P2RY6 Q15077 6/20 0.38
▸ P2RY4 P51582 3/20 0.36
▸ STING1 Q86WV6 1/20 0.36
▸ P2RY14 Q15391 1/20 0.35

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
SCHEMBL859968 0.83 SLC28A1 (0.44) SLC28A1SLC28A2SLC29A1SLC28A3P2RY2
SCHEMBL9964306 0.83 SLC28A1 (0.44) SLC28A1SLC28A2SLC29A1SLC28A3P2RY2
SCHEMBL9945539 0.83 SLC28A1 (0.44) SLC28A1SLC28A2SLC29A1SLC28A3P2RY2
SCHEMBL9964305 0.83 SLC28A1 (0.44) SLC28A1SLC28A2SLC29A1SLC28A3P2RY2
SCHEMBL705500 0.83 SLC28A1 (0.44) SLC28A1SLC28A2SLC29A1SLC28A3P2RY2
SCHEMBL1582511 0.83 SLC28A1 (0.44) SLC28A1SLC28A2SLC29A1SLC28A3P2RY2
SCHEMBL20215746 0.83 SLC28A1 (0.44) SLC28A1SLC28A2SLC29A1SLC28A3P2RY2
SCHEMBL16594630 0.79 SLC28A1 (0.46) SLC28A1SLC28A2SLC29A1SLC28A3P2RY2
SCHEMBL17029543 0.79 — —
SCHEMBL16647512 0.78 SLC28A1 (0.45) SLC28A1SLC28A2SLC29A1SLC28A3P2RY2

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-2609923-B1 PROCESS FOR THE CRYSTALLISATION OF (S)-ISOPROPYL 2-(((S)-(PERFLUOROPHENOXY)(PHENOXY)PHOSPHORYL)AMINO)PROPANOATE GILEAD PHARMASSET LLC (US) 2017-05-24 — — EP disclosed
EP-2913337-A1 N-[(2'R)-2'-DEOXY-2'-FLUORO-2'-METHYL-P-PHENYL-5'-URIDYLYL]-L-ALANINE 1-METHYLETHYL ESTER AND PROCESS FOR ITS PRODUCTION Gilead Pharmasset LLC (US) 2015-09-02 — — EP disclosed
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