SCHEMBL28064120

SCHEMBL28064120

CCCOC(=O)[C@H](CCCCN)NC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 1/20 0.43
SIRT1 Q96EB6 1/20 0.43
SLC6A5 Q9Y345 1/20 0.42
CPB2 Q96IY4 2/20 0.42
FOLH1 Q04609 1/20 0.42
NOD1 Q9Y239 4/20 0.41
TLR2 O60603 3/20 0.40
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.38
ERAP2 Q6P179 2/20 0.38
LNPEP Q9UIQ6 1/20 0.38
DPP8 Q6V1X1 1/20 0.38
DPP9 Q86TI2 1/20 0.38
DPP7 Q9UHL4 1/20 0.38
ERAP1 Q9NZ08 1/20 0.37
GNAI3 P08754 1/20 0.37
GNAO1 P09471 1/20 0.37
GNAI1 P63096 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
SCHEMBL21879807 0.89 CPB2 (0.53) SIRT6SIRT1SLC6A5CPB2FOLH1
SCHEMBL5808679 0.88 SIRT6 (0.56) SIRT6SIRT1SLC6A5CPB2FOLH1
SCHEMBL5808675 0.88 SIRT6 (0.56) SIRT6SIRT1SLC6A5CPB2FOLH1
SCHEMBL634032 0.83 FOLH1 (0.46) SIRT6SIRT1SLC6A5CPB2FOLH1
SCHEMBL6001433 0.83 SIRT6 (0.50) SIRT6SIRT1NOD1TLR2KMT2A
SCHEMBL6001429 0.83 SIRT6 (0.50) SIRT6SIRT1NOD1TLR2KMT2A
SCHEMBL28085656 0.82 FOLH1 (0.47) SIRT6SIRT1SLC6A5CPB2FOLH1
SCHEMBL7262935 0.81 SLC6A5 (0.62) SIRT6SIRT1SLC6A5NOD1TLR2
SCHEMBL8095959 0.81 NOD1 (0.54) NOD1
Hydrochloric Acid SCHEMBL10517148 0.80 SLC6A5 (0.60) SIRT6SIRT1SLC6A5NOD1TLR2

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-103183725-B Method for detecting protein lysine crotonyl acylation modification and developing affinity reagent 杭州景杰生物科技有限公司 2016-06-08 CN disclosed