SCHEMBL9828348

SCHEMBL9828348

O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)c1ccc(O)cc1

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ERAP2 Q6P179 3/20 0.74
ITGB2 P05107 6/20 0.72
ICAM1 P05362 6/20 0.72
ITGAL P20701 6/20 0.72
ERAP1 Q9NZ08 4/20 0.66
LNPEP Q9UIQ6 3/20 0.66
CA12 O43570 1/20 0.66
CA1 P00915 1/20 0.66
CA9 Q16790 1/20 0.66
HPGDS O60760 1/20 0.64
ALOX15 P16050 1/20 0.64
CTSL P07711 1/20 0.63
ACE P12821 1/20 0.63
BBOX1 O75936 2/20 0.62
TACR1 P25103 1/20 0.62

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
SCHEMBL9828342 1.00 ERAP2 (0.74) ERAP2ITGB2ICAM1ITGALERAP1
SCHEMBL9466705 0.93 ITGB2 (0.78) ERAP2ITGB2ICAM1ITGALCA12
SCHEMBL5191302 0.93 ITGB2 (0.78) ERAP2ITGB2ICAM1ITGALCA12
SCHEMBL30616778 0.93 ITGB2 (0.78) ERAP2ITGB2ICAM1ITGALCA12
SCHEMBL5259129 0.93 ITGB2 (0.78) ERAP2ITGB2ICAM1ITGALCA12
SCHEMBL11870861 0.92 ERAP2 (0.76) ERAP2ITGB2ICAM1ITGALCA12
SCHEMBL22206878 0.91 ITGB2 (0.77) ERAP2ITGB2ICAM1ITGALCA12
SCHEMBL22206876 0.91 ITGB2 (0.77) ERAP2ITGB2ICAM1ITGALCA12
SCHEMBL23092632 0.89 ITGB2 (0.81) ERAP2ITGB2ICAM1ITGALCA12
SCHEMBL21623652 0.89 ERAP2 (0.72) ERAP2ITGB2ICAM1ITGALCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020014726-A1 TREATMENT FOR LIVER REGENERATION XENEXUS PHARMACEUTICALS PTY. LTD. (AU) 2020-01-23 WO disclosed
EP-0226304-B1 COMPOSITION CONTAINING A PENEM OR CARBAPENEM ANTIBIOTIC SANKYO COMPANY LIMITED (JP) 1991-08-28 EP disclosed
US-4757066-A Reduces renal toxicity SANKYO COMPANY LIMITED (JP) 1988-07-12 US disclosed
EP-0226304-A1 Composition containing a penem or carbapenem antibiotic SANKYO COMPANY LIMITED (JP) 1987-06-24 EP disclosed