SCHEMBL10352005

SCHEMBL10352005

CCOC(=O)/C(=N\OC)C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.43
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPT P10636 3/20 0.36
ALDH1A1 P00352 6/20 0.36
NPSR1 Q6W5P4 1/20 0.35
GLO1 Q04760 1/20 0.35
ABCB1 P08183 1/20 0.35
CYP1A2 P05177 1/20 0.35
HTT P42858 1/20 0.35
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TSHR P16473 1/20 0.34
GAA P10253 2/20 0.33
MGAM O43451 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
SOAT1 P35610 1/20 0.33

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
SCHEMBL4836138 0.87 ALDH1A1 (0.42) ALOX15MEN1KMT2AMAPTALDH1A1
SCHEMBL10760587 0.83 ALOX15 (0.39) ALOX15MEN1KMT2AMAPTALDH1A1
SCHEMBL10760592 0.83 ALOX15 (0.39) ALOX15MEN1KMT2AMAPTALDH1A1
SCHEMBL9076933 0.82 GLO1 (0.45) ALOX15MEN1KMT2AMAPTALDH1A1
SCHEMBL16767840 0.82 GLO1 (0.45) ALOX15MEN1KMT2AMAPTALDH1A1
SCHEMBL9076929 0.82 GLO1 (0.45) ALOX15MEN1KMT2AMAPTALDH1A1
SCHEMBL8820126 0.80 SOAT1 (0.38) ALOX15MEN1KMT2AMAPTALDH1A1
SCHEMBL10680452 0.80 SOAT1 (0.38) ALOX15MEN1KMT2AMAPTALDH1A1
SCHEMBL8820120 0.80 SOAT1 (0.38) ALOX15MEN1KMT2AMAPTALDH1A1
SCHEMBL20878527 0.79 ALOX15 (0.46) ALOX15MEN1KMT2AMAPTALDH1A1

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-0257294-B1 E/Z-ISOMERIC MIXTURES AND PURE Z-ISOMERS OF N-ALPHA-(2-CYANO-2-ALKOXYIMINOACETYL) AMINO-ACID DERIVATIVES AND LIKE PEPTIDES BAYER AG (DE) 1990-09-12 EP disclosed
EP-0257295-B1 (Z)-2-CYANO-2-OXIMINO-ACETYL CHLORIDES, AND PROCESS FOR THEIR PREPARATION BAYER AG (DE) 1990-08-29 EP disclosed
US-4904811-A (Z)-2-cyano-2-oximino-acetyl chlorides BAYER AKTIENGESELLSCHAFT (DE) 1990-02-27 US disclosed
EP-0257294-A1 E/Z-isomeric mixtures and pure Z-isomers of N-alpha-(2-cyano-2-alkoxyiminoacetyl) amino-acid derivatives and like peptides BAYER AG (DE) 1988-03-02 EP disclosed
EP-0257295-A1 (Z)-2-cyano-2-oximino-acetyl chlorides, and process for their preparation BAYER AG (DE) 1988-03-02 EP disclosed