SCHEMBL9168323

SCHEMBL9168323

CC(NOCC(=O)O)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
MMP2 P08253 1/20 0.34
CA9 Q16790 1/20 0.34
TSHR P16473 2/20 0.33
CTH P32929 1/20 0.33
CBS P35520 1/20 0.33
THPO P40225 1/20 0.33
CYP1A2 P05177 1/20 0.33
MME P08473 1/20 0.33
ACE P12821 1/20 0.33
CPA1 P15085 1/20 0.33
ACE2 Q9BYF1 1/20 0.33
HTT P42858 1/20 0.33
THRB P10828 1/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL9168326 1.00 FOLH1 (0.34) FOLH1KDM4EALDH1A1SMN1; SMN2CA1
SCHEMBL9639362 0.81
SCHEMBL29167948 0.79
SCHEMBL13248610 0.79
SCHEMBL1287220 0.79
SCHEMBL1287361 0.77 CYP2D6 (0.34) KDM4EALDH1A1MMP2TSHRMME
SCHEMBL1287186 0.76 MME (0.36) KDM4EALDH1A1SMN1; SMN2TSHRMME
SCHEMBL1287222 0.74 KDM4E (0.32) KDM4EALDH1A1TSHRMMEACE
SCHEMBL721808 0.74 KDM4E (0.32) KDM4EALDH1A1TSHRMMEACE
SCHEMBL20988011 0.73 CA12 (0.34) FOLH1KDM4EALDH1A1SMN1; SMN2CA1

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
US-5429952-A ASSOCIATING A HAPTEN MARKER WITH PRODUCT AND LATER DETECTING HAPTEN USING A COMPLEMENTARY BINDING MEMBER BIOCODE, INC. (US) 1995-07-04 US disclosed
EP-0409842-B1 MARKING OF CHEMICAL PRODUCTS TO ESTABLISH IDENTITY AND SOURCE BIOCODE INC (US) 1995-05-10 EP disclosed
EP-0409842-A1 MARKING OF CHEMICAL PRODUCTS TO ESTABLISH IDENTITY AND SOURCE. SHELL INT RESEARCH (NL) 1991-01-30 EP disclosed
WO-1989007272-A1 MARKING OF CHEMICAL PRODUCTS TO ESTABLISH IDENTITY AND SOURCE SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 1989-08-10 WO disclosed