SCHEMBL28425924

SCHEMBL28425924

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

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.40
▸ RAB9A P51151 4/20 0.40
▸ MAPT P10636 4/20 0.35
▸ LMNA P02545 1/20 0.35
▸ KMT2A Q03164 5/20 0.35
▸ POLB P06746 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ BCHE P06276 1/20 0.34
▸ MEN1 O00255 3/20 0.33
▸ CHRNA7 P36544 1/20 0.33
▸ LGALS9 O00182 1/20 0.33
▸ LGALS1 P09382 1/20 0.33
▸ LGALS3 P17931 1/20 0.33
▸ LGALS7; LGALS7B P47929 1/20 0.33
▸ GAA P10253 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ HTT P42858 1/20 0.32

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
SCHEMBL28719560 0.91 NPC1 (0.40) NPC1RAB9AMAPTLMNAKMT2A
SCHEMBL28426427 0.87 NPC1 (0.40) NPC1RAB9AMAPTLMNAKMT2A
SCHEMBL28709000 0.86 NPC1 (0.39) NPC1RAB9AMAPTLMNAKMT2A
SCHEMBL28420705 0.86 NPC1 (0.39) NPC1RAB9AMAPTLMNAKMT2A
SCHEMBL28428520 0.82 LGALS3 (0.36) NPC1RAB9AMAPTKMT2APOLB
SCHEMBL16774479 0.81 LGALS3 (0.37) NPC1RAB9AMAPTLMNAKMT2A
SCHEMBL18298125 0.80 HTT (0.38) NPC1RAB9AMAPTKMT2AMEN1
SCHEMBL28428818 0.80 LGALS3 (0.40) NPC1RAB9AMAPTLMNALGALS3
SCHEMBL28716111 0.76 NPC1 (0.40) NPC1RAB9AMAPTLMNAKMT2A
SCHEMBL28562523 0.76 NPC1 (0.40) NPC1RAB9AMAPTLMNAKMT2A

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
CN-107011168-B Synthesis intermediates of cytosines and synthesis intermediates of thionucleosides 富士胶片株式会社 2020-06-09 — — CN disclosed
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