SCHEMBL27827075

SCHEMBL27827075

NCc1c[c]cc(CCC(=O)O)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 1/20 0.44
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ FFAR1 O14842 9/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.37
▸ PTPRB P23467 1/20 0.37
▸ CDC25A P30304 1/20 0.37
▸ CDC25B P30305 1/20 0.37
▸ PTEN P60484 1/20 0.37
▸ PTPMT1 Q8WUK0 1/20 0.37
▸ FFAR4 Q5NUL3 2/20 0.36
▸ P4HTM Q9NXG6 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ RXRA P19793 1/20 0.35
▸ RXRB P28702 1/20 0.35
▸ RXRG P48443 1/20 0.35
▸ TBXA2R P21731 1/20 0.35

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
SCHEMBL297817 0.90 KEAP1 (0.52) KEAP1CA1CA2FFAR1NPSR1
SCHEMBL1510393 0.81 KEAP1 (0.44) KEAP1CA1CA2FFAR1NPSR1
SCHEMBL1510335 0.79 KEAP1 (0.45) KEAP1CA1CA2FFAR1NPSR1
SCHEMBL1510085 0.78 FFAR1 (0.45) KEAP1CA1CA2FFAR1NPSR1
SCHEMBL1510103 0.78 FFAR1 (0.47) KEAP1CA1CA2FFAR1NPSR1
SCHEMBL296896 0.77 MAPT (0.55) —
SCHEMBL27972897 0.77 LOXL2 (0.36) CA1CA2
SCHEMBL31273986 0.76 KEAP1 (0.61) KEAP1FFAR1PTPRBCDC25ACDC25B
SCHEMBL2016247 0.76 KEAP1 (0.61) KEAP1FFAR1PTPRBCDC25ACDC25B
SCHEMBL5670212 0.75 KEAP1 (0.64) KEAP1CA1CA2FFAR1NPSR1

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-102056897-B Sulfonamide compound and application thereof ASAHI KASEI PHARMA CORP 2014-05-07 — — CN disclosed
CN-102056897-A Sulfonamide compound and application thereof ASAHI KASEI PHARMA CORP 2011-05-11 — — CN disclosed
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