SCHEMBL9466705

SCHEMBL9466705

O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)O)c1ccccc1

nearest known ligand 0.78

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 9/20 0.78
ICAM1 P05362 9/20 0.78
ITGAL P20701 9/20 0.78
ERAP2 Q6P179 1/20 0.77
CTSL P07711 1/20 0.71
ALOX15 P16050 1/20 0.70
ACE P12821 2/20 0.68
TACR1 P25103 3/20 0.67
CA12 O43570 1/20 0.67
CA1 P00915 1/20 0.67
CA9 Q16790 1/20 0.67

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
SCHEMBL30616778 1.00 ITGB2 (0.78) ITGB2ICAM1ITGALERAP2CTSL
SCHEMBL5191302 1.00 ITGB2 (0.78) ITGB2ICAM1ITGALERAP2CTSL
SCHEMBL5259129 1.00 ITGB2 (0.78) ITGB2ICAM1ITGALERAP2CTSL
SCHEMBL22206878 0.99 ITGB2 (0.77) ITGB2ICAM1ITGALERAP2CTSL
SCHEMBL22206876 0.99 ITGB2 (0.77) ITGB2ICAM1ITGALERAP2CTSL
SCHEMBL11870861 0.94 ERAP2 (0.76) ITGB2ICAM1ITGALERAP2CTSL
SCHEMBL9828348 0.93 ERAP2 (0.74) ITGB2ICAM1ITGALERAP2CTSL
SCHEMBL9828342 0.93 ERAP2 (0.74) ITGB2ICAM1ITGALERAP2CTSL
SCHEMBL23092632 0.92 ITGB2 (0.81) ITGB2ICAM1ITGALERAP2CTSL
SCHEMBL21623652 0.92 ERAP2 (0.72) ITGB2ICAM1ITGALERAP2CTSL

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
US-5219731-A Cleaving an oxazolone precursor with lipase WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1993-06-15 US disclosed