SCHEMBL26311640

SCHEMBL26311640

CC(C)(C)OC(=O)N1CCC(COc2ccc(Br)cc2)C1

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 9/20 0.53
CHEK2 O96017 2/20 0.49
FPR2 P25090 1/20 0.48
ALDH1A1 P00352 1/20 0.47
IDO1 P14902 1/20 0.47
TDO2 P48775 1/20 0.47
HDAC1 Q13547 1/20 0.47
ALOX5AP P20292 1/20 0.47
FEN1 P39748 1/20 0.47

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
SCHEMBL21398088 1.00 GPR119 (0.53) GPR119CHEK2FPR2ALDH1A1IDO1
SCHEMBL2456170 0.93 GPR119 (0.57) GPR119CHEK2FPR2HDAC1
SCHEMBL15300717 0.90 SLC5A1 (0.47) GPR119CHEK2FPR2
SCHEMBL19610292 0.89 GPR119 (0.54) GPR119CHEK2ALDH1A1ALOX5APFEN1
SCHEMBL19610295 0.88 GPR119 (0.56) GPR119CHEK2ALDH1A1ALOX5APFEN1
SCHEMBL31071572 0.88 GPR119 (0.53) GPR119CHEK2ALDH1A1
SCHEMBL14006542 0.88 GPR119 (0.53) GPR119CHEK2ALDH1A1ALOX5APFEN1
SCHEMBL13876978 0.88 KDM4E (0.56) GPR119
SCHEMBL31330844 0.87 GPR119 (0.54) GPR119CHEK2ALDH1A1HDAC1ALOX5AP
SCHEMBL31330775 0.87 GPR119 (0.54) GPR119CHEK2ALDH1A1HDAC1ALOX5AP

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-109890814-B Compounds comprising benzo [ D ] [1,3] oxathiolane 3-oxides and methods/uses thereof 普拉马纳制药公司 2023-04-18 CN disclosed