SCHEMBL2012446

SCHEMBL2012446

CCCN/C(CC)=C(\C)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP3 P08254 1/20 0.39
MMP9 P14780 1/20 0.39
KDM4C Q9H3R0 1/20 0.38
EPHX1 P07099 2/20 0.38
PAOX Q6QHF9 1/20 0.36
MCL1 Q07820 1/20 0.36
KDM4E B2RXH2 4/20 0.36
TDP1 Q9NUW8 2/20 0.36
THRB P10828 1/20 0.35
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
PGGT1B P53609 1/20 0.35
ALOX15 P16050 1/20 0.34
ALDH1A1 P00352 3/20 0.34
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
FFAR3 O14843 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
SCHEMBL246134 0.88 EPHX1 (0.45) MMP1MMP2EPHX1KDM4ETHRB
SCHEMBL1983184 0.88 EPHX1 (0.45) MMP1MMP2EPHX1KDM4ETHRB
SCHEMBL6064920 0.84 EPHX1 (0.53) EPHX1KDM4ETHRBFNTAFNTB
SCHEMBL9451088 0.82 ALDH1A1 (0.35) MMP1MMP2MMP3MMP9MCL1
SCHEMBL2634811 0.82 ALDH1A1 (0.35) MMP1MMP2MMP3MMP9MCL1
SCHEMBL9113646 0.81 MMP1 (0.38) MMP1MMP2MMP3MMP9KDM4C
SCHEMBL3140240 0.80 ADRA1A (0.48) KDM4ETDP1ALDH1A1KMT2AMEN1
Acrylic Acid SCHEMBL6129258 0.79 ZDHHC20 (0.45) MMP2EPHX1KDM4ETHRBFNTA
SCHEMBL15541398 0.78 CTH (0.40) KDM4ETDP1THRBFNTAFNTB
SCHEMBL15541397 0.78 CTH (0.40) KDM4ETDP1THRBFNTAFNTB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3122524-A1 LIGNOCELLULOSIC MATERIALS LABELLED WITH POLYMER PARTICLES CONTAINING FLUORESCENT DYE BASF SE (DE) 2017-02-01 EP disclosed
WO-2015144577-A1 LIGNOCELLULOSIC MATERIALS LABELLED WITH POLYMER PARTICLES CONTAINING FLUORESCENT DYE BASF SE (DE) 2015-10-01 WO disclosed
EP-2513015-A1 METHOD FOR QUALITATIVELY AND QUANTITATIVELY IDENTIFYING BULK GOODS Construction Research & Technology GmbH (DE) 2012-10-24 EP disclosed
WO-2011073354-A1 METHOD FOR QUALITATIVELY AND QUANTITATIVELY IDENTIFYING BULK GOODS CONSTRUCTION RESEARCH & TECHNOLOGY GMBH (DE) 2011-06-23 WO disclosed
WO-2002020632-A1 QUATERNARY POLYMERS WITH FUNCTIONAL AMINE GROUPS BAYER AKTIENGESELLSCHAFT (DE) 2002-03-14 WO disclosed