SCHEMBL30416463

SCHEMBL30416463

COc1cc(F)cc(C(=O)C[C@H](C)C(=O)O)c1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ STING1 Q86WV6 13/20 0.44
▸ KMT2A Q03164 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL30416910 0.87 KMT2A (0.41) KMT2A
SCHEMBL26673329 0.86 CES2 (0.43) STING1L3MBTL1
SCHEMBL11203155 0.78 CES2 (0.56) KMT2AL3MBTL1
SCHEMBL30416404 0.78 BMP1 (0.36) KMT2A
SCHEMBL30416829 0.77 ALDH1A1 (0.55) STING1KMT2A
SCHEMBL23384735 0.76 NPC1 (0.42) KMT2A
SCHEMBL23360861 0.76 GSK3B (0.56) KMT2A
SCHEMBL24710640 0.76 RAB9A (0.42) KMT2A
SCHEMBL1376745 0.76 L3MBTL1 (0.58) L3MBTL1
SCHEMBL573257 0.76 HCAR1 (0.53) —

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-111971277-B Benzothiophenes and related compounds as STING agonists 默沙东有限责任公司 2023-06-06 — — CN disclosed
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