SCHEMBL15569632

SCHEMBL15569632

CCOC(=O)C(=NN(C)C(=O)COC)C(=O)OCC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.34
MAPT P10636 2/20 0.33
ABCB1 P08183 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
GLO1 Q04760 1/20 0.32
ALDH1A1 P00352 4/20 0.32
HSD17B10 Q99714 3/20 0.32
KDM4E B2RXH2 2/20 0.32
TSHR P16473 1/20 0.32
LMNA P02545 2/20 0.31
EGLN1 Q9GZT9 1/20 0.31
RAB9A P51151 2/20 0.30
APOBEC3A P31941 1/20 0.30
APOBEC3G Q9HC16 1/20 0.30
MEN1 O00255 1/20 0.30
PLIN1 O60240 1/20 0.30
POLB P06746 1/20 0.30
PLIN5 Q00G26 1/20 0.30
KMT2A Q03164 1/20 0.30
ABHD5 Q8WTS1 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
SCHEMBL391488 0.83 SOAT1 (0.38) CYP2C9MAPTABCB1NPSR1GLO1
SCHEMBL103479 0.70
SCHEMBL20976760 0.68 ALDH1A1 (0.31) ALDH1A1
SCHEMBL5802231 0.68 ALDH1A1 (0.43) MAPTNPSR1GLO1ALDH1A1HSD17B10
SCHEMBL18590175 0.67 APOBEC3A (0.38) CYP2C9MAPTABCB1NPSR1GLO1
SCHEMBL4836138 0.66 ALDH1A1 (0.42) MAPTABCB1NPSR1GLO1ALDH1A1
SCHEMBL393212 0.66 MAPT (0.46) CYP2C9MAPTNPSR1GLO1ALDH1A1
SCHEMBL2914885 0.65 ALDH1A1 (0.46) MAPTABCB1NPSR1GLO1ALDH1A1
SCHEMBL20350643 0.65 ALDH1A1 (0.46) MAPTABCB1NPSR1GLO1ALDH1A1
SCHEMBL4513312 0.65 ALDH1A1 (0.47) MAPTNPSR1GLO1ALDH1A1HSD17B10

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
WO-2014031971-A1 HERBICIDAL PYRIDAZINONES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2014-02-27 WO disclosed