SCHEMBL4261396

SCHEMBL4261396

Cc1ccccc1C(=O)O[C@H]1OC(O)[C@](C)(F)[C@@H]1OC(=O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ BCHE P06276 2/20 0.38
▸ MAPT P10636 4/20 0.37
▸ LMNA P02545 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ ABCB1 P08183 3/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ POLB P06746 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ PTGES2 Q9H7Z7 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
SCHEMBL2505924 1.00 NPC1 (0.40) NPC1RAB9ABCHEMAPTLMNA
SCHEMBL14769887 0.92 GAA (0.43) BCHEGAAABCB1KMT2ATSHR
SCHEMBL28336618 0.92 GAA (0.43) BCHEGAAABCB1KMT2ATSHR
SCHEMBL28719208 0.89 NPC1 (0.40) NPC1RAB9ABCHEMAPTLMNA
SCHEMBL28499108 0.88 BCHE (0.40) NPC1RAB9ABCHEMAPTLMNA
SCHEMBL17560689 0.88 NPC1 (0.40) NPC1RAB9ABCHEMAPTLMNA
SCHEMBL28914333 0.87 NPC1 (0.39) NPC1RAB9ABCHEMAPTLMNA
SCHEMBL28410806 0.87 NPC1 (0.39) NPC1RAB9ABCHEMAPTLMNA
SCHEMBL30336274 0.85 NPC1 (0.38) NPC1RAB9ABCHEMAPTLMNA
SCHEMBL28716091 0.84 NPC1 (0.40) NPC1RAB9ABCHEMAPTLMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106905398-B Synthetic method of sofosbuvir ZHEJIANG A & F UNIVERSITY (CN) 2019-12-10 — — CN claimed
CN-106905398-B Synthetic method of sofosbuvir ZHEJIANG A & F UNIVERSITY (CN) 2019-12-10 — — CN disclosed
WO-2009115893-A2 NOVEL NUCLEOSIDE DERIVATIVES HETERO RESEARCH FOUNDATION (IN) 2009-09-24 — — WO disclosed
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