SCHEMBL30428900

SCHEMBL30428900

O=C(O)CC(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)C(=O)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.58
ACE P12821 4/20 0.57
SMN1; SMN2 Q16637 1/20 0.55
ITGB2 P05107 3/20 0.55
ICAM1 P05362 3/20 0.55
ITGAL P20701 3/20 0.55
MMP2 P08253 1/20 0.55
MMP9 P14780 1/20 0.55
KDM4E B2RXH2 2/20 0.54
MAPT P10636 2/20 0.54
APAF1 O14727 1/20 0.54
POLB P06746 1/20 0.54
RECQL P46063 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
MEN1 O00255 1/20 0.54
LMNA P02545 1/20 0.54
MPO P05164 1/20 0.54
TSHR P16473 1/20 0.54
BLM P54132 1/20 0.54
PMP22 Q01453 1/20 0.54

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
SCHEMBL30565252 0.85 ALOX15 (0.62) ALOX15ACESMN1; SMN2ITGB2ICAM1
SCHEMBL28982976 0.84 ALOX15 (0.64) ALOX15ACESMN1; SMN2ITGB2ICAM1
SCHEMBL126762 0.83 ACE (0.60) ALOX15ACESMN1; SMN2ITGB2ICAM1
SCHEMBL7222741 0.83 ALOX15 (0.66) ALOX15ACESMN1; SMN2ITGB2ICAM1
SCHEMBL23423098 0.81 KDM4E (0.61) ALOX15ACESMN1; SMN2ITGB2ICAM1
SCHEMBL16750046 0.81 ACE (0.70) ALOX15ACESMN1; SMN2ITGB2ICAM1
SCHEMBL1263822 0.81 KDM4E (0.72) ALOX15ACESMN1; SMN2ITGB2ICAM1
SCHEMBL15592745 0.81 ACE (0.70) ALOX15ACESMN1; SMN2ITGB2ICAM1
SCHEMBL1263833 0.81 KDM4E (0.72) ALOX15ACESMN1; SMN2ITGB2ICAM1
SCHEMBL19737124 0.81 ACE (0.70) ALOX15ACESMN1; SMN2ITGB2ICAM1

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-112839512-B Enzymatic compositions for carbohydrate antigen cleavage on donor organs, methods and uses related thereto 不列颠哥伦比亚大学 2023-06-13 CN disclosed