SCHEMBL28612285

SCHEMBL28612285

COC(=O)c1cccc(-c2ccc(OCC3CCN(C(=O)OC(C)(C)C)CC3)cc2C(F)(F)F)c1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 1/20 0.48
▸ EPHX2 P34913 1/20 0.48
▸ GPR119 Q8TDV5 7/20 0.46
▸ HDAC1 Q13547 1/20 0.45
▸ CHEK2 O96017 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ RBP4 P02753 1/20 0.43
▸ YAP1 P46937 1/20 0.42
▸ TGFBR1 P36897 2/20 0.41
▸ ALOX5AP P20292 2/20 0.41
▸ FEN1 P39748 2/20 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
SCHEMBL28616820 0.90 RBP4 (0.46) RBP4
SCHEMBL2811017 0.85 SLC2A1 (0.57) SLC2A1GPR119HDAC1CHEK2KDM4E
SCHEMBL23826968 0.84 GPR119 (0.52) SLC2A1EPHX2GPR119HDAC1CHEK2
SCHEMBL2999873 0.83 GPR119 (0.54) SLC2A1GPR119HDAC1CHEK2KDM4E
SCHEMBL241130 0.79 GPR119 (0.59) SLC2A1GPR119HDAC1CHEK2KDM4E
SCHEMBL26668458 0.77 SLC2A1 (0.59) SLC2A1GPR119CHEK2KDM4EPKM
SCHEMBL30318922 0.76 GPR119 (0.54) SLC2A1GPR119CHEK2KDM4EPKM
SCHEMBL20231480 0.76 GPR119 (0.54) SLC2A1GPR119HDAC1CHEK2KDM4E
SCHEMBL18818429 0.76 GPR119 (0.61) SLC2A1GPR119HDAC1CHEK2ALOX5AP
SCHEMBL7472533 0.76 PARP15 (0.52) SLC2A1EPHX2GPR119HDAC1CHEK2

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-113302184-A 1,3, 4-oxadiazolinone compounds and drugs 日本新药株式会社 2021-08-24 — — CN disclosed
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