SCHEMBL28499108

SCHEMBL28499108

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

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 2/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ 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 2/20 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
▸ ADRB2 P07550 1/20 0.33
▸ ADRB1 P08588 1/20 0.33
▸ ADRB3 P13945 1/20 0.33

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
SCHEMBL28502618 0.92 GAA (0.43) BCHELMNAGAAABCB1KMT2A
SCHEMBL14769891 0.92 GAA (0.43) BCHELMNAGAAABCB1KMT2A
SCHEMBL28716091 0.91 NPC1 (0.40) BCHENPC1RAB9AMAPTLMNA
SCHEMBL4261396 0.88 NPC1 (0.40) BCHENPC1RAB9AMAPTLMNA
SCHEMBL17560689 0.88 NPC1 (0.40) BCHENPC1RAB9AMAPTLMNA
SCHEMBL2505924 0.88 NPC1 (0.40) BCHENPC1RAB9AMAPTLMNA
SCHEMBL28410806 0.87 NPC1 (0.39) BCHENPC1RAB9AMAPTLMNA
SCHEMBL28914333 0.87 NPC1 (0.39) BCHENPC1RAB9AMAPTLMNA
SCHEMBL30336274 0.85 NPC1 (0.38) BCHENPC1RAB9AMAPTLMNA
SCHEMBL28719208 0.82 NPC1 (0.40) BCHENPC1RAB9AMAPTLMNA

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-109689672-B 2' -substituted-N for RNA viral therapy 6 -substituted purine nucleotides 阿堤亚制药公司 2023-05-30 — — CN disclosed
CN-112209980-A Substituted purine nucleotides 阿堤亚制药公司 2021-01-12 — — CN disclosed
CN-107427530-B β -D-2' -deoxy-2 ' α -fluoro-2 ' - β -C-substituted-2-modified-N for HCV treatment6-substituted purine nucleotides 阿堤亚制药公司 2020-09-08 — — CN disclosed
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