SCHEMBL28012007

SCHEMBL28012007

COc1cccc(N(O)C(=O)OC(C)(C)C)c1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 12/20 0.45
MTNR1B P49286 12/20 0.45
HSD17B2 P37059 4/20 0.45
HSD17B1 P14061 3/20 0.45
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
PARP1 P09874 1/20 0.41

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
SCHEMBL4288276 0.84 PARP1 (0.44) MTNR1AMTNR1BHSD17B2HSD17B1CES2
SCHEMBL27877846 0.84 MTNR1A (0.44) MTNR1AMTNR1BHSD17B2HSD17B1CES2
SCHEMBL1779795 0.84 MTNR1A (0.44) MTNR1AMTNR1BHSD17B2HSD17B1CES2
SCHEMBL1007582 0.84 MTNR1A (0.44) MTNR1AMTNR1BHSD17B2HSD17B1CES2
SCHEMBL2556980 0.81 ALOX15 (0.45) MTNR1AMTNR1BHSD17B2HSD17B1CES2
SCHEMBL1548437 0.79 MTNR1B (0.55) MTNR1AMTNR1BHSD17B2HSD17B1CES2
SCHEMBL7363893 0.79 KDM4E (0.45)
SCHEMBL15155861 0.75 MAPT (0.48) CES2CES1
SCHEMBL24402999 0.75 HSD17B2 (0.51) MTNR1AMTNR1BHSD17B2HSD17B1CES2
SCHEMBL28859256 0.75 MTNR1A (0.41) MTNR1AMTNR1BHSD17B2HSD17B1

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
CN-102153562-B Spiro-oxindole compounds and their uses as therapeutic agents XENON PHARMACEUTICALS INC 2015-05-13 CN disclosed