SCHEMBL28219939

SCHEMBL28219939

CC(C)Oc1ccc(CC(N)C(=O)O)cc1.CCOC(=O)Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
PTPN1 P18031 1/20 0.47
SLC7A5 Q01650 2/20 0.47
ITGB3 P05106 1/20 0.46
ITGA2B P08514 1/20 0.46
PTGS1 P23219 2/20 0.45
ALPI P09923 1/20 0.45
PKM P14618 1/20 0.45
XIAP P98170 1/20 0.45
ACACB O00763 2/20 0.43
PPARG P37231 4/20 0.43
PPARA Q07869 4/20 0.43
THRA P10827 1/20 0.42
THRB P10828 1/20 0.42
CYP3A4 P08684 3/20 0.42
ALDH1A1 P00352 2/20 0.42
ALOX15 P16050 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HIF1A Q16665 2/20 0.42
KMT2A Q03164 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
SCHEMBL19759402 0.88 POLB (0.60) POLBPTPN1SLC7A5ITGB3ITGA2B
SCHEMBL2803084 0.88 POLB (0.60) POLBPTPN1SLC7A5ITGB3ITGA2B
Tyrosine SCHEMBL27984873 0.84 SLC7A5 (0.69) PTPN1SLC7A5ITGB3ITGA2BPTGS1
Dl-Phenylalanine SCHEMBL27371195 0.84 SLC7A5 (0.67) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL17707254 0.84 POLB (0.55) POLBACACBPPARGPPARAALDH1A1
SCHEMBL28219943 0.84 POLB (0.55) POLBACACBPPARGPPARAALDH1A1
SCHEMBL31370032 0.84 POLB (0.55) POLBPTPN1SLC7A5ITGB3ITGA2B
SCHEMBL27637904 0.83 SLC7A5 (0.50) PTPN1SLC7A5ITGB3ITGA2BPTGS1
SCHEMBL27873168 0.83 SLC7A5 (0.50) PTPN1SLC7A5ITGB3ITGA2BPTGS1
Hydrochloric Acid SCHEMBL17707253 0.82 POLB (0.54) POLBACACBPPARGPPARAALDH1A1

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-105492494-B The manufacturing method of polyaminoacid 武田药品工业株式会社 2018-05-22 CN disclosed