SCHEMBL30458054

SCHEMBL30458054

N#Cc1cc(CCC(=O)O)cs1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 12/20 0.43
KEAP1 Q14145 1/20 0.41
FFAR4 Q5NUL3 3/20 0.40
LTB4R Q15722 4/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
S100A9 P06702 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
SCHEMBL25240683 0.73 DAO (0.47) FFAR1KEAP1FFAR4LTB4R
SCHEMBL2333009 0.70
SCHEMBL2959197 0.68 FFAR1 (0.45) FFAR1KEAP1FFAR4
SCHEMBL7497250 0.68 FFAR1 (0.56) FFAR1KEAP1FFAR4LTB4R
SCHEMBL5670212 0.68 KEAP1 (0.64) FFAR1KEAP1FFAR4CA1CA2
SCHEMBL1337387 0.67 FFAR1 (0.69) FFAR1KEAP1FFAR4
SCHEMBL29600005 0.67 NPSR1 (0.46) FFAR1KEAP1LTB4R
SCHEMBL6776233 0.67 FFAR1 (0.57) FFAR1KEAP1FFAR4CA1CA2
SCHEMBL25214537 0.67 FFAR1 (0.47) FFAR1KEAP1FFAR4
Hydrochloric Acid SCHEMBL7956222 0.66 FFAR1 (0.67) FFAR1KEAP1FFAR4

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-110475785-B Peptide compound, method for producing same, composition for screening, and method for selecting peptide compound 富士胶片株式会社 2023-06-13 CN disclosed