SCHEMBL2316100

SCHEMBL2316100

CC(=CCCNC(=O)Oc1ccccc1-c1ccccc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.46
SMN1; SMN2 Q16637 4/20 0.42
HTT P42858 2/20 0.42
ALDH1A1 P00352 6/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GAA P10253 2/20 0.41
KMT2A Q03164 2/20 0.41
PKM P14618 1/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 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
SCHEMBL2316091 1.00 KDM4E (0.46) KDM4ESMN1; SMN2HTTALDH1A1L3MBTL1
SCHEMBL29602232 0.87 KDM4E (0.38) KDM4EALDH1A1KMT2AMEN1
SCHEMBL2316620 0.82 FAAH (0.48) GAA
SCHEMBL2316629 0.82 FAAH (0.48) GAA
SCHEMBL2318792 0.81 TAAR1 (0.49) ALDH1A1GAA
SCHEMBL2318799 0.81 TAAR1 (0.49) ALDH1A1GAA
SCHEMBL2314644 0.79 EPHX1 (0.52)
SCHEMBL2314650 0.79 EPHX1 (0.52)
SCHEMBL1021747 0.78 FAAH (0.51) KDM4EALDH1A1GAAKMT2A
SCHEMBL450013 0.78 KDM4E (0.58) KDM4ESMN1; SMN2HTTALDH1A1L3MBTL1

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-2354845-B1 Photopolymer Composition for the Manufacturing of Holographic Media COVESTRO DEUTSCHLAND AG (DE) 2015-12-23 EP claimed
EP-2354845-A1 (Meth)acrylate writing monomers Bayer MaterialScience AG (DE) 2011-08-10 EP disclosed