SCHEMBL30891981

SCHEMBL30891981

O=C(O)C(O)(c1cccc(Br)c1)C1CCC1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.64
NFE2L2 Q16236 1/20 0.64
GRK2 P25098 1/20 0.42
CASP6 P55212 1/20 0.42
CASP8 Q14790 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CHRM3 P20309 10/20 0.41
CHRM2 P08172 5/20 0.41
CHRM1 P11229 4/20 0.41
ALDH1A1 P00352 2/20 0.39
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
HRH1 P35367 1/20 0.37
HTR2B P41595 1/20 0.37
KCNH2 Q12809 1/20 0.37
CYP1A2 P05177 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL25178797 1.00 KEAP1 (0.64) KEAP1NFE2L2GRK2CASP6CASP8
SCHEMBL25183653 0.84 ALDH1A1 (0.44) KEAP1NFE2L2CHRM3CHRM2CHRM1
SCHEMBL6590164 0.82 KEAP1 (0.93) KEAP1NFE2L2CHRM3CHRM2CHRM1
SCHEMBL3913217 0.82 KEAP1 (0.93) KEAP1NFE2L2CHRM3CHRM2CHRM1
SCHEMBL2763565 0.82 KEAP1 (0.93) KEAP1NFE2L2CHRM3CHRM2CHRM1
SCHEMBL22832489 0.81 KEAP1 (0.43) KEAP1NFE2L2GRK2CASP6CASP8
SCHEMBL6587160 0.79 KEAP1 (0.69) KEAP1NFE2L2CHRM3CHRM2CHRM1
SCHEMBL2062949 0.79 KEAP1 (1.00) KEAP1NFE2L2CHRM3CHRM2CHRM1
SCHEMBL415801 0.79 KEAP1 (1.00) KEAP1NFE2L2CHRM3CHRM2CHRM1
SCHEMBL418664 0.79 KEAP1 (1.00) KEAP1NFE2L2CHRM3CHRM2CHRM1

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-118201921-A Lactams as CBL-B inhibitors selective for C-CBL 基因泰克公司 2024-06-14 CN disclosed