SCHEMBL28763280

SCHEMBL28763280

O=C(CCCCCCC(S)S)NC(Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SLC6A5 Q9Y345 2/20 0.41
▸ NOD1 Q9Y239 2/20 0.38
▸ ITGB3 P05106 2/20 0.37
▸ ITGA2B P08514 2/20 0.37
▸ HDAC6 Q9UBN7 4/20 0.36
▸ FAAH O00519 2/20 0.36
▸ HDAC1 Q13547 2/20 0.36
▸ GART P22102 3/20 0.35
▸ PIN1 Q13526 1/20 0.34

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
SCHEMBL11009904 0.88 SLC6A5 (0.43) SLC6A5NOD1ITGB3ITGA2BHDAC6
SCHEMBL2579118 0.88 SLC6A5 (0.37) SLC6A5NOD1ITGB3ITGA2BHDAC6
SCHEMBL2579125 0.88 SLC6A5 (0.37) SLC6A5NOD1ITGB3ITGA2BHDAC6
SCHEMBL19950999 0.87 SLC6A5 (0.36) SLC6A5NOD1ITGB3ITGA2BHDAC6
SCHEMBL14167513 0.86 NOD1 (0.46) SLC6A5NOD1GART
SCHEMBL14167462 0.86 NOD1 (0.46) SLC6A5NOD1GART
SCHEMBL4760860 0.86 SLC6A5 (0.36) SLC6A5NOD1ITGB3ITGA2BHDAC6
SCHEMBL19138222 0.86 SLC6A5 (0.54) SLC6A5NOD1ITGB3ITGA2BFAAH
SCHEMBL4348856 0.86 SLC6A5 (0.54) SLC6A5NOD1ITGB3ITGA2BFAAH
SCHEMBL19138218 0.86 SLC6A5 (0.54) SLC6A5NOD1ITGB3ITGA2BFAAH

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114867449-B Oil-in-water type emulsified cosmetic 株式会社资生堂 2024-12-10 — — CN disclosed
CN-117500474-A Oil-in-water type emulsified cosmetic 株式会社资生堂 2024-02-02 — — CN disclosed
CN-114867449-A Oil-in-water type emulsified cosmetic 株式会社资生堂 2022-08-05 — — CN disclosed
CN-114617784-A Oil-in-water type emulsified cosmetic 株式会社资生堂 2022-06-14 — — CN disclosed
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