SCHEMBL28277728

SCHEMBL28277728

CCCCCCCCCCC(NC(=O)C(C)(C)Br)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NOD1 Q9Y239 3/20 0.53
▸ LCK P06239 1/20 0.47
▸ PPARD Q03181 1/20 0.47
▸ ZDHHC20 Q5W0Z9 1/20 0.47
▸ ZDHHC2 Q9UIJ5 1/20 0.47
▸ SLC6A5 Q9Y345 1/20 0.46
▸ FOLH1 Q04609 3/20 0.45
▸ GRIK1 P39086 2/20 0.45
▸ GRIK2 Q13002 2/20 0.45
▸ GPR84 Q9NQS5 3/20 0.44
▸ FFAR1 O14842 1/20 0.44
▸ MAPT P10636 1/20 0.43
▸ MMP2 P08253 5/20 0.43
▸ MMP3 P08254 5/20 0.43
▸ MMP1 P03956 3/20 0.43
▸ MMP7 P09237 1/20 0.43
▸ SLC1A2 P43004 1/20 0.42
▸ SLC1A1 P43005 1/20 0.42
▸ CA2 P00918 1/20 0.42

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
SCHEMBL22689972 0.84 FOLH1 (0.54) SLC6A5FOLH1MMP2CA2
SCHEMBL12125194 0.84 NOD1 (0.53) NOD1LCKPPARDZDHHC20ZDHHC2
SCHEMBL8179038 0.82 NOD1 (0.54) NOD1LCKPPARDZDHHC20ZDHHC2
SCHEMBL8172600 0.82 NOD1 (0.54) NOD1LCKPPARDZDHHC20ZDHHC2
SCHEMBL9829251 0.80 NOD1 (0.50) NOD1SLC6A5FOLH1SLC1A2SLC1A1
SCHEMBL9829247 0.80 NOD1 (0.50) NOD1SLC6A5FOLH1SLC1A2SLC1A1
SCHEMBL10822237 0.79 NOD1 (0.62) NOD1LCKPPARDZDHHC20ZDHHC2
SCHEMBL10599977 0.78 NOD1 (0.60) NOD1LCKPPARDZDHHC20ZDHHC2
SCHEMBL4609045 0.78 NOD1 (0.60) NOD1LCKPPARDZDHHC20ZDHHC2
SCHEMBL10603409 0.78 NOD1 (0.60) NOD1LCKPPARDZDHHC20ZDHHC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109384896-A Hydroxyapatite nanosheet grafted polymer material and preparation method thereof 安徽大学 2019-02-26 — — CN claimed
CN-109384895-A Aluminum hydroxide nanosheet/polymer composite material and preparation method thereof 安徽大学 2019-02-26 — — CN claimed
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