SCHEMBL28709000

SCHEMBL28709000

CC(=O)OC1S[C@@H](OC(=O)c2ccccc2C)[C@@H](F)[C@H]1OC(=O)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ MAPT P10636 3/20 0.34
▸ LMNA P02545 1/20 0.34
▸ ABCB1 P08183 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ POLB P06746 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ TSHR P16473 2/20 0.33
▸ KCNJ5 P48544 1/20 0.33
▸ KCNJ3 P48549 1/20 0.33
▸ BCHE P06276 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
SCHEMBL28420705 1.00 NPC1 (0.39) NPC1RAB9AMAPTLMNAABCB1
SCHEMBL28627968 0.91 TSHR (0.39) LMNAABCB1KMT2APOLBTSHR
SCHEMBL28719560 0.86 NPC1 (0.40) NPC1RAB9AMAPTLMNAKMT2A
SCHEMBL28425924 0.86 NPC1 (0.40) NPC1RAB9AMAPTLMNAKMT2A
SCHEMBL28426427 0.85 NPC1 (0.40) NPC1RAB9AMAPTLMNAKMT2A
SCHEMBL28423026 0.83 MET (0.36) NPC1RAB9AMAPTKMT2APOLB
SCHEMBL28426565 0.81 LGALS3 (0.34) NPC1RAB9AMAPTLMNAKMT2A
SCHEMBL28422972 0.81 HTT (0.36) NPC1MAPTKMT2APOLB
SCHEMBL28427485 0.81 KDM4E (0.39) MAPT
SCHEMBL28400811 0.77 NPC1 (0.39) NPC1RAB9AMAPTLMNAABCB1

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-108137641-B Cyclic dinucleotide compounds as sting agonists 默沙东公司 2022-04-01 — — CN disclosed
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