SCHEMBL30936746

SCHEMBL30936746

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

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.70
ACE P12821 4/20 0.68
ITGB2 P05107 6/20 0.67
ICAM1 P05362 6/20 0.67
ITGAL P20701 6/20 0.67
ERAP2 Q6P179 2/20 0.66
POLB P06746 2/20 0.65
P2RY14 Q15391 1/20 0.65
TP53 P04637 1/20 0.65
MEN1 O00255 1/20 0.63
MAPT P10636 1/20 0.63
KMT2A Q03164 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
KDM4E B2RXH2 1/20 0.63

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
SCHEMBL27552844 0.90 ALOX15 (0.74) ALOX15ACEITGB2ICAM1ITGAL
SCHEMBL27552842 0.90 ALOX15 (0.74) ALOX15ACEITGB2ICAM1ITGAL
SCHEMBL31520113 0.90 ACE (0.67) ALOX15ACEITGB2ICAM1ITGAL
SCHEMBL19051476 0.90 ACE (0.67) ALOX15ACEITGB2ICAM1ITGAL
SCHEMBL29987387 0.90 ALOX15 (0.70) ALOX15ACEITGB2ICAM1ITGAL
SCHEMBL1994982 0.90 ALOX15 (0.70) ALOX15ACEITGB2ICAM1ITGAL
SCHEMBL1994981 0.90 ALOX15 (0.70) ALOX15ACEITGB2ICAM1ITGAL
SCHEMBL13278205 0.90 ALOX15 (0.70) ALOX15ACEITGB2ICAM1ITGAL
SCHEMBL3728145 0.90 ALOX15 (0.70) ALOX15ACEITGB2ICAM1ITGAL
SCHEMBL6313468 0.90 ALOX15 (0.70) ALOX15ACEITGB2ICAM1ITGAL

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118243934-A Use of serum markers for the preparation of products for diagnosis/prognosis of rheumatoid arthritis 海南医学院 2024-06-25 CN claimed
CN-118243934-A Use of serum markers for the preparation of products for diagnosis/prognosis of rheumatoid arthritis 海南医学院 2024-06-25 CN disclosed