SCHEMBL29631978

SCHEMBL29631978

N[C@@H](Cc1ccc(OP(=O)(O)OP(=O)(O)OP(=O)(O)O)cc1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.50
PTPN1 P18031 2/20 0.49
SLC7A5 Q01650 3/20 0.49
ITGB3 P05106 1/20 0.48
ITGA2B P08514 1/20 0.48
PTGS1 P23219 3/20 0.47
ALPI P09923 1/20 0.47
PKM P14618 1/20 0.47
XIAP P98170 1/20 0.47
HIF1A Q16665 5/20 0.44
CYP3A4 P08684 3/20 0.44
ALOX15 P16050 3/20 0.44
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ABCB11 O95342 1/20 0.44
CHRM2 P08172 1/20 0.44

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
SCHEMBL29123731 0.97 PTPRC (0.52) PTPRCPTPN1SLC7A5ITGB3ITGA2B
SCHEMBL7025170 0.97 PTPRC (0.52) PTPRCPTPN1SLC7A5ITGB3ITGA2B
SCHEMBL273663 0.86 PTPRC (0.57) PTPRCPTPN1SLC7A5ITGB3ITGA2B
SCHEMBL3626587 0.86 PTPRC (0.57) PTPRCPTPN1SLC7A5ITGB3ITGA2B
SCHEMBL1152 0.86 PTPRC (0.57) PTPRCPTPN1SLC7A5ITGB3ITGA2B
SCHEMBL4066744 0.86 PTPRC (0.57) PTPRCPTPN1SLC7A5ITGB3ITGA2B
Tyrosine SCHEMBL27834134 0.85 SLC7A5 (0.71) PTPRCPTPN1SLC7A5ITGB3ITGA2B
SCHEMBL19615883 0.84 PTPRC (0.56) PTPRCPTPN1SLC7A5ITGB3ITGA2B
Phosphoric Acid SCHEMBL3476886 0.84 PTPRC (0.56) PTPRCPTPN1SLC7A5ITGB3ITGA2B
SCHEMBL29613927 0.84 PTPRC (0.56) PTPRCPTPN1SLC7A5ITGB3ITGA2B

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
WO-2022111535-A1 MULTIVALENT BISPECIFIC ANTIBODY BINDING TO HER2, PREPARATION METHOD THEREFOR AND USE THEREOF 三生国健药业(上海)股份有限公司 2022-06-02 WO disclosed