SCHEMBL6414995

SCHEMBL6414995

CCCCCCCCCCC(C)C(=O)N(C(=O)C(C)CCCCCCCCCC)C(CCC)(C(=O)[O-])[N+](C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.45
GPR84 Q9NQS5 4/20 0.37
CA2 P00918 1/20 0.36
ACE2 Q9BYF1 1/20 0.36
NFKB1 P19838 1/20 0.35
FFAR1 O14842 2/20 0.33
FFAR4 Q5NUL3 1/20 0.33
FDPS P14324 3/20 0.32

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
SCHEMBL4126709 0.74 BBOX1 (0.36) NFKB1
SCHEMBL2921196 0.71 CES2 (0.38) FDPS
SCHEMBL2923879 0.71 CES2 (0.38) FDPS
SCHEMBL10340646 0.70 BBOX1 (0.39)
SCHEMBL4131420 0.69 CES2 (0.31)
SCHEMBL29456029 0.69 CA1 (0.91) CA1GPR84CA2ACE2NFKB1
Acetic Acid SCHEMBL13835081 0.68 CES2 (0.35) GPR84FFAR1FFAR4
Acetic Acid SCHEMBL1034253 0.68 CES2 (0.35) GPR84FFAR1FFAR4
SCHEMBL9081217 0.67 CA1 (0.72) CA1GPR84CA2ACE2NFKB1
SCHEMBL6117421 0.67 CA1 (0.55) CA1GPR84ACE2FFAR1FFAR4

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
US-8216559-B2 Deodorant fiber and fibrous article and product made thereof JNC CORPORATION (JP) 2012-07-10 US disclosed
US-20050255078-A1 Deodorant fiber and fibrous article and product made thereof CHISSO CORPOARTION (JP) 2005-11-17 US disclosed