SCHEMBL28258997

SCHEMBL28258997

CCOC(=O)C(c1ccccc1)C(C)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.53
KMT2A Q03164 2/20 0.52
PIN1 Q13526 1/20 0.49
CHRM2 P08172 2/20 0.48
CHRM4 P08173 2/20 0.48
CHRM1 P11229 2/20 0.48
CHRM3 P20309 2/20 0.48
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
CYP2D6 P10635 2/20 0.47
CHRM5 P08912 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TSHR P16473 2/20 0.45
GAA P10253 1/20 0.44

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
SCHEMBL5728738 0.89 KMT2A (0.64) MMP8KMT2APIN1CHRM2CHRM4
SCHEMBL28497599 0.87 MMP8 (0.54) MMP8KMT2APIN1CHRM2CHRM4
SCHEMBL1661290 0.87 MMP8 (0.54) MMP8KMT2APIN1CHRM2CHRM4
SCHEMBL25600199 0.86 MMP8 (0.53) MMP8KMT2APIN1CHRM2CHRM4
SCHEMBL1645937 0.84 MMP8 (0.51) MMP8KMT2APIN1CHRM2CHRM4
SCHEMBL27629137 0.84 MMP8 (0.51) MMP8KMT2APIN1CHRM2CHRM4
SCHEMBL1646940 0.84 MMP8 (0.51) MMP8KMT2APIN1CHRM2CHRM4
SCHEMBL13751893 0.84 MMP8 (0.54) MMP8KMT2APIN1MEN1NPC1
SCHEMBL9225532 0.84 MMP8 (0.54) MMP8KMT2APIN1MEN1NPC1
SCHEMBL2301980 0.84 MMP8 (0.54) MMP8KMT2APIN1CHRM2CHRM4

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-109053861-A A kind of preparation method of Carfilzomib 上海雅本化学有限公司 2018-12-21 CN disclosed