SCHEMBL10060693

SCHEMBL10060693

CC(C)(C)OC(=O)N1CCC(n2nnc3cc(B4OC(C)(C)C(C)(C)O4)ccc32)CC1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 3/20 0.60
USP30 Q70CQ3 1/20 0.49
PKM P14618 1/20 0.45
ALDH1A1 P00352 7/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
POLB P06746 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
LMNA P02545 3/20 0.44
TSHR P16473 1/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPT P10636 2/20 0.42
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HTT P42858 1/20 0.41
HCAR3 P49019 1/20 0.40

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
SCHEMBL10059181 0.80 GPR119 (0.68) GPR119PKMALDH1A1SMN1; SMN2POLB
SCHEMBL27110645 0.80 USP30 (0.41) GPR119USP30HCAR3
SCHEMBL31584093 0.80 USP30 (0.46) GPR119USP30MAPT
SCHEMBL15206849 0.80 USP30 (0.51) GPR119USP30ALDH1A1MEN1KMT2A
SCHEMBL12471570 0.79 USP30 (0.49) GPR119USP30ALDH1A1MAPT
SCHEMBL10060696 0.79 HCAR3 (0.41) PKMALDH1A1SMN1; SMN2POLBNPSR1
SCHEMBL30186809 0.78 USP30 (0.51) GPR119USP30
SCHEMBL30186853 0.78 USP30 (0.49) GPR119USP30MAPT
SCHEMBL10059193 0.76 GPR119 (0.76) GPR119PKMALDH1A1SMN1; SMN2POLB
SCHEMBL14158758 0.76 USP30 (0.49) GPR119USP30SMN1; SMN2LMNAMAPT

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-2012086735-A1 CONDENSED HETEROCYCLIC COMPOUND 大正製薬株式会社 (JP) 2012-06-28 WO disclosed