SCHEMBL19986828

SCHEMBL19986828

C=C(CC(=O)O)C(=O)NC(C)(C)CC

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.37
HSD17B10 Q99714 2/20 0.36
ALOX15 P16050 1/20 0.36
HPGD P15428 1/20 0.36
KDM4E B2RXH2 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
NPSR1 Q6W5P4 1/20 0.33
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
TET2 Q6N021 1/20 0.31
PKM P14618 1/20 0.31
LDHA P00338 1/20 0.31
SRR Q9GZT4 1/20 0.31
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL1827439 0.84 HMGCR (0.38) HSD17B10ALOX15KDM4ETET2LDHA
SCHEMBL11128751 0.78 EPHX1 (0.47) EPHX1HSD17B10HPGDKDM4EL3MBTL1
SCHEMBL9805999 0.77 EPHX1 (0.40) EPHX1HPGDKDM4EL3MBTL1NPSR1
SCHEMBL16391286 0.76 EPHX1 (0.42) EPHX1HPGDKDM4EL3MBTL1NPSR1
Dimethylamine SCHEMBL27577795 0.73 EPHX1 (0.38) EPHX1HPGDKDM4EL3MBTL1NPSR1
SCHEMBL26662072 0.73 EPHX1 (0.38) EPHX1HPGDKDM4EL3MBTL1NPSR1
SCHEMBL11470339 0.72 EPHX1 (0.42) EPHX1HPGDKDM4EL3MBTL1NPSR1
SCHEMBL23504 0.71
Phosphonic Acid SCHEMBL2557336 0.71 EPHX1 (0.36) EPHX1HPGDKDM4EL3MBTL1PKM
SCHEMBL16391211 0.70 EPHX1 (0.41) EPHX1HPGDKDM4EL3MBTL1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180081273-A1 RESIN COMPOSITION, METHOD FOR FORMING PATTERN USING THE SAME, AND METHOD FOR SYNTHESIZING POLYMER NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2018-03-22 US disclosed