SCHEMBL28658682

SCHEMBL28658682

NC(=O)O[C@@H](CO)CCF

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
MAPT P10636 2/20 0.32
PRKCA P17252 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL28658685 1.00 LMNA (0.33) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL28331579 0.84 MAPT (0.35) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL11520643 0.84 MAPT (0.35) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL2480097 0.83
SCHEMBL18343830 0.81
SCHEMBL28522874 0.80 MAPT (0.33) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL31232292 0.80 ANPEP (0.33) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL1437005 0.80 MAPT (0.41) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL28772648 0.77 MAPT (0.35) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL28502070 0.77 MAPT (0.47) MAPTPRKCAMAPK1

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-113710687-A Cyclopeptide antibiotics 豪夫迈·罗氏有限公司 2021-11-26 CN disclosed