SCHEMBL17844617

SCHEMBL17844617

CC(C)(C)CNC(=O)c1ccc(C2CC2)[nH]c1=O.O=C(O)Oc1ccc(C2CC2)[nH]c1=O

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PLAT P00750 1/20 0.39
CNR2 P34972 4/20 0.34
HSD17B2 P37059 10/20 0.33
HSD17B1 P14061 4/20 0.32
FKBP1A P62942 1/20 0.31
PDE10A Q9Y233 1/20 0.31

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
SCHEMBL17844615 0.87 PLAT (0.42) PLATCNR2HSD17B2HSD17B1
SCHEMBL17844664 0.80 DAO (0.34)
SCHEMBL17844663 0.67 KDM4E (0.47)
SCHEMBL25148777 0.65 KDM4E (0.41)
SCHEMBL16794594 0.63 KDM5A (0.36)
SCHEMBL25148783 0.62 KDM4E (0.39) HSD17B2HSD17B1
SCHEMBL25148750 0.62 KDM4E (0.39) HSD17B2HSD17B1
SCHEMBL25148778 0.62 KDM4E (0.39) HSD17B2HSD17B1
SCHEMBL16794631 0.62 KDM4E (0.43) PLATHSD17B2
SCHEMBL11833334 0.61 KDM5A (0.47)

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-2016096942-A1 USE OF SELECTED PYRIDONE CARBOXAMIDES OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-06-23 WO disclosed