SCHEMBL28836162

SCHEMBL28836162

C=CCOC(=O)N[C@@H](CCCCN)C(=O)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.50
ITGA2B P08514 4/20 0.50
DPP4 P27487 2/20 0.49
SIRT2 Q8IXJ6 1/20 0.49
SIRT1 Q96EB6 1/20 0.49
SIRT3 Q9NTG7 1/20 0.49
CASP1 P29466 5/20 0.49
ECE1 P42892 1/20 0.48
PRSS1 P07477 2/20 0.48
PRSS2 P07478 2/20 0.48
PRSS3 P35030 2/20 0.48
TPSAB1 Q15661 2/20 0.48
TLR2 O60603 2/20 0.48
DPP8 Q6V1X1 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
SCHEMBL28836163 1.00 ITGB3 (0.50) ITGB3ITGA2BDPP4SIRT2SIRT1
SCHEMBL5692870 0.89 ITGB3 (0.60) ITGB3ITGA2BDPP4SIRT2SIRT1
SCHEMBL9086439 0.89 ITGB3 (0.60) ITGB3ITGA2BDPP4SIRT2SIRT1
Hydrochloric Acid SCHEMBL7284342 0.88 ITGB3 (0.58) ITGB3ITGA2BDPP4SIRT2SIRT1
Hydrochloric Acid SCHEMBL7284348 0.88 ITGB3 (0.58) ITGB3ITGA2BDPP4SIRT2SIRT1
SCHEMBL1161865 0.87 CASP1 (0.49) ITGB3ITGA2BCASP1PRSS1PRSS2
SCHEMBL15275745 0.87 CASP1 (0.49) ITGB3ITGA2BCASP1PRSS1PRSS2
SCHEMBL1161868 0.87 CASP1 (0.49) ITGB3ITGA2BCASP1PRSS1PRSS2
SCHEMBL1841203 0.85 PRSS1 (0.61) ITGB3ITGA2BDPP4SIRT2SIRT1
SCHEMBL1841202 0.85 PRSS1 (0.61) ITGB3ITGA2BDPP4SIRT2SIRT1

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-115053184-A Composition for forming EUV resist underlayer film 日产化学株式会社 2022-09-13 CN disclosed