SCHEMBL28836164

SCHEMBL28836164

C=CCOC(=O)NC(CCCCN)C(=O)O.c1ccc2c(c1)C2

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 1/20 0.48
▸ CASP1 P29466 9/20 0.46
▸ TGM2 P21980 4/20 0.45
▸ ECE1 P42892 1/20 0.43
▸ FOLH1 Q04609 1/20 0.42
▸ DPP4 P27487 1/20 0.42
▸ ITGB3 P05106 2/20 0.42
▸ ITGA2B P08514 2/20 0.42

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
SCHEMBL30849132 0.87 FOLH1 (0.50) CASP1TGM2ECE1FOLH1
SCHEMBL287193 0.87 FOLH1 (0.50) CASP1TGM2ECE1FOLH1
SCHEMBL287192 0.87 FOLH1 (0.50) CASP1TGM2ECE1FOLH1
SCHEMBL21315776 0.83 FOLH1 (0.44) CASP1TGM2FOLH1
SCHEMBL7605714 0.83 FOLH1 (0.44) CASP1TGM2FOLH1
SCHEMBL28836163 0.81 ITGB3 (0.50) CASP1ECE1DPP4ITGB3ITGA2B
SCHEMBL28836162 0.81 ITGB3 (0.50) CASP1ECE1DPP4ITGB3ITGA2B
SCHEMBL14817637 0.78 GNPAT (0.53) ECE1ITGB3ITGA2B
SCHEMBL287475 0.76 ITGB3 (0.66) ACEECE1FOLH1DPP4ITGB3
SCHEMBL15968143 0.76 ITGB3 (0.66) ACEECE1FOLH1DPP4ITGB3

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
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