SCHEMBL9326112

SCHEMBL9326112

CCCC(O)(NCC(=O)O)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 2/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
GAA P10253 1/20 0.33
ALOX12 P18054 1/20 0.33
CYP2C19 P33261 1/20 0.33
ALDH1A1 P00352 5/20 0.32
PLA2G2A P14555 1/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
THRB P10828 1/20 0.32
KMT2A Q03164 1/20 0.32
FDPS P14324 1/20 0.32
EGLN1 Q9GZT9 1/20 0.31
NAALAD2 Q9Y3Q0 1/20 0.31
CTH P32929 1/20 0.31
HMGCR P04035 1/20 0.31
CHRM1 P11229 1/20 0.31

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
SCHEMBL983535 0.82 FFAR3 (0.35) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL986001 0.77 EGLN1 (0.38) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL4998219 0.75 ALDH1A1 (0.46) CYP2C19ALDH1A1EGLN1HMGCRCHRM1
SCHEMBL4998223 0.75 ALDH1A1 (0.46) CYP2C19ALDH1A1EGLN1HMGCRCHRM1
SCHEMBL28844285 0.72 ALDH1A1 (0.39) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL29715075 0.69 ALDH1A1 (0.36) GAAALOX12CYP2C19ALDH1A1CYP1A2
SCHEMBL10435519 0.68 EGLN1 (0.39) ALDH1A1EGLN1
SCHEMBL10489506 0.68 TGFBR1 (0.34) GAAALOX12CYP2C19ALDH1A1FDPS
SCHEMBL10489511 0.68 ALDH1A1 (0.39) CYP2C19ALDH1A1MEN1THRBKMT2A
SCHEMBL30890889 0.68

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
EP-0399133-B1 Detergent and cleaning compositions containing chelating agents PROCTER & GAMBLE (US) 1994-03-09 EP disclosed
EP-0399133-A1 Detergent and cleaning compositions containing chelating agents THE PROCTER & GAMBLE COMPANY (US) 1990-11-28 EP disclosed