SCHEMBL30931237

SCHEMBL30931237

COc1cc(F)ccc1Oc1cc(C(C)(C)C)ccc1C(=O)Nc1cccc(C(=O)O)c1

nearest known ligand 0.70

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SCN8A Q9UQD0 2/20 0.58
▸ SCN10A Q9Y5Y9 2/20 0.58
▸ NR1H4 Q96RI1 2/20 0.55
▸ PPARG P37231 1/20 0.55
▸ PPARD Q03181 1/20 0.55
▸ GPBAR1 Q8TDU6 1/20 0.55

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
SCHEMBL29182975 1.00 SCN8A (0.58) SCN8ASCN10ANR1H4PPARGPPARD
SCHEMBL30853207 0.91 SCN8A (0.69) SCN8ASCN10A
SCHEMBL29179819 0.91 SCN8A (0.69) SCN8ASCN10A
SCHEMBL30530169 0.84 SCN8A (0.67) SCN8ASCN10A
SCHEMBL20638991 0.84 SCN8A (0.67) SCN8ASCN10A
SCHEMBL15931097 0.83 SCN8A (0.60) SCN8ASCN10A
SCHEMBL20644020 0.83 SCN8A (0.68) SCN8ASCN10A
SCHEMBL15561737 0.82 — —
SCHEMBL13852934 0.80 SCN8A (0.56) SCN8ASCN10A
SCHEMBL13852936 0.80 SCN8A (0.56) SCN8ASCN10A

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-117794920-A N- (hydroxyalkyl (hetero) aryl) tetrahydrofurancarboxamides as sodium channel modulators 沃泰克斯药物股份有限公司 2024-03-29 — — CN disclosed
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