SCHEMBL2322172

SCHEMBL2322172

C=C(CCNC(=O)Oc1ccccc1-c1ccccc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
HTT P42858 2/20 0.45
ALDH1A1 P00352 5/20 0.44
USP2 O75604 1/20 0.44
GAA P10253 2/20 0.43
KMT2A Q03164 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.41
PKM P14618 1/20 0.41
MEN1 O00255 1/20 0.41
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL2316094 0.92 KDM4E (0.44) KDM4ESMN1; SMN2HTTALDH1A1USP2
SCHEMBL2320800 0.82 FABP7 (0.38) KDM4ESMN1; SMN2HTTGAAKMT2A
SCHEMBL2317049 0.82 KDM4E (0.42) KDM4ESMN1; SMN2ALDH1A1GAAKMT2A
SCHEMBL1021747 0.81 FAAH (0.51) KDM4EALDH1A1GAAKMT2A
SCHEMBL2314945 0.81 FAAH (0.51) GAAKMT2AMEN1
SCHEMBL2316314 0.80 TAAR1 (0.49) GAA
SCHEMBL2316714 0.79 HPGD (0.38) KDM4ESMN1; SMN2GAAKMT2AL3MBTL1
SCHEMBL2315680 0.77 EPHX1 (0.55)
SCHEMBL17350453 0.77 KDM4E (0.45) KDM4ESMN1; SMN2HTTALDH1A1USP2
SCHEMBL9460914 0.76 FAAH (0.54) KMT2A

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