SCHEMBL11718333

SCHEMBL11718333

CCCCC(CC)C(=O)NC(CC(=O)O)S(=O)(=O)O

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 7/20 0.50
▸ CA1 P00915 5/20 0.50
▸ MAPK1 P28482 2/20 0.46
▸ PDF Q9HBH1 1/20 0.46
▸ MMP2 P08253 6/20 0.43
▸ MMP3 P08254 5/20 0.43
▸ MMP1 P03956 4/20 0.43
▸ MMP7 P09237 1/20 0.43
▸ CA7 P43166 1/20 0.42
▸ CA14 Q9ULX7 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ USP2 O75604 1/20 0.40
▸ CASP3 P42574 1/20 0.39

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
SCHEMBL13776558 0.75 CA2 (0.51) CA2CA1MAPK1PDFMMP2
SCHEMBL2058687 0.73 CA2 (0.68) CA2CA1MAPK1PDFCA7
SCHEMBL16240017 0.73 PDF (0.49) CA2CA1MAPK1PDFMMP2
SCHEMBL25732354 0.72 CA2 (0.66) CA2CA1MAPK1PDFCA7
SCHEMBL11095965 0.72 CA2 (0.66) CA2CA1MAPK1CA7CA14
SCHEMBL9652484 0.72 CA2 (0.56) CA2CA1MAPK1CA7CA14
SCHEMBL27630011 0.71 CA2 (0.59) CA2CA1MAPK1CA7CA14
SCHEMBL353712 0.71 CA2 (0.60) CA2CA1MAPK1PDFMEN1
SCHEMBL5279569 0.71 CA2 (0.60) CA2CA1MAPK1PDFMEN1
SCHEMBL5936918 0.71 CA2 (0.60) CA2CA1MAPK1PDFMEN1

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
US-4060522-A ANTICORROSIVE BASF AKTIENGESELLSCHAFT (DT) 1977-11-29 — — US disclosed
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