SCHEMBL28356129

SCHEMBL28356129

CCCCC(O)(CCCC)[C@H](Cc1ccccc1)OC(=O)NC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 1/20 0.43
▸ CTSK P43235 15/20 0.42
▸ CTSL P07711 4/20 0.42
▸ CTSB P07858 4/20 0.42
▸ CTSH P09668 2/20 0.42
▸ MBOAT4 Q96T53 1/20 0.39
▸ NPC1 O15118 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ RAB9A P51151 1/20 0.37

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
SCHEMBL28359858 0.83 SCN9A (0.48) SCN9ACTSKCTSLCTSBNPC1
SCHEMBL27669149 0.77 SCN9A (0.51) SCN9ACTSKCTSLCTSBCTSH
SCHEMBL28356132 0.73 ATM (0.52) CTSKCTSLCTSB
SCHEMBL15311168 0.72 CTSK (0.49) SCN9ACTSKCTSLCTSBNPC1
SCHEMBL14716956 0.72 CTSK (0.49) SCN9ACTSKCTSLCTSBNPC1
SCHEMBL27794800 0.72 CTSK (0.49) SCN9ACTSKCTSLCTSBNPC1
SCHEMBL27502333 0.72 SCN9A (0.57) SCN9ACTSKCTSLCTSBNPC1
SCHEMBL395107 0.71 SCN9A (0.47) SCN9ACTSKCTSLCTSBCTSH
SCHEMBL28336154 0.71 SCN9A (0.56) SCN9ACTSKCTSLCTSBNPC1
SCHEMBL27812309 0.71 CTSK (0.48) SCN9ACTSKCTSLCTSBNPC1

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-110724112-A Bisoxazoline ligand compound and synthetic method thereof 五邑大学 2020-01-24 — — CN claimed
CN-110724112-A Bisoxazoline ligand compound and synthetic method thereof 五邑大学 2020-01-24 — — CN disclosed
CN-110724112-A Bisoxazoline ligand compound and synthetic method thereof 五邑大学 2020-01-24 — — CN disclosed
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