SCHEMBL9577433

SCHEMBL9577433

CCCCCCC(C(=O)C(=O)O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ASAH1 Q13510 2/20 0.48
ALDH1A1 P00352 2/20 0.48
ACER2 Q5QJU3 1/20 0.48
NAAA Q02083 2/20 0.48
POLB P06746 1/20 0.44
CNR2 P34972 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
MMP2 P08253 2/20 0.42
MMP9 P14780 2/20 0.42
MMP1 P03956 1/20 0.42
MMP3 P08254 1/20 0.42
MMP14 P50281 1/20 0.42
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
CSNK1E P49674 1/20 0.42

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
SCHEMBL10443250 1.00 ASAH1 (0.48) ASAH1ALDH1A1ACER2NAAAPOLB
SCHEMBL9577344 0.98 ASAH1 (0.46) ASAH1ALDH1A1ACER2NAAAPOLB
SCHEMBL10442966 0.93 POLB (0.50) ASAH1ALDH1A1ACER2NAAAPOLB
SCHEMBL22471868 0.88 NAAA (0.51) ASAH1ALDH1A1ACER2NAAAPOLB
SCHEMBL28256178 0.88 NAAA (0.51) ASAH1ALDH1A1ACER2NAAAPOLB
SCHEMBL22471814 0.88 NAAA (0.51) ASAH1ALDH1A1ACER2NAAAPOLB
SCHEMBL22471835 0.88 NAAA (0.51) ASAH1ALDH1A1ACER2NAAAPOLB
SCHEMBL22471826 0.88 NAAA (0.51) ASAH1ALDH1A1ACER2NAAAPOLB
SCHEMBL1518057 0.86 TBXAS1 (0.54) ASAH1ALDH1A1ACER2NAAAPOLB
SCHEMBL2552649 0.86 TBXAS1 (0.54) ASAH1ALDH1A1ACER2NAAAPOLB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0407588-B1 PROCESS FOR PRODUCING 2-OXO-3-AROMATIC CARBOXYLIC ACID DERIVATIVES SAGAMI CHEM RES (JP) 1993-12-08 EP disclosed
US-5028738-A Process for producing 2-oxo-3-aromatic carboxylic acid derivatives SAGAMI CHEMICAL RESEARCH CENTER (JP) 1991-07-02 US disclosed
EP-0407588-A1 PROCESS FOR PRODUCING 2-OXO-3-AROMATIC CARBOXYLIC ACID DERIVATIVES SAGAMI CHEMICAL RESEARCH CENTER (JP) 1991-01-16 EP disclosed
EP-0386243-A1 PLATINUM (II) COMPLEXES SAGAMI CHEMICAL RESEARCH CENTER (JP) 1990-09-12 EP disclosed