SCHEMBL9829519

SCHEMBL9829519

Cc1ccc(N[C@@H](Cc2cnc[nH]2)C(=O)O)cc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 3/20 0.58
ICAM1 P05362 3/20 0.58
ITGAL P20701 3/20 0.58
CA1 P00915 3/20 0.51
CA2 P00918 3/20 0.51
CYP3A4 P08684 2/20 0.50
SLC7A5 Q01650 1/20 0.50
HRH3 Q9Y5N1 1/20 0.50
ALOX5 P09917 1/20 0.48
PTGS2 P35354 1/20 0.48
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
HIF1A Q16665 1/20 0.47
CYP19A1 P11511 2/20 0.47
SLC6A5 Q9Y345 1/20 0.47
SLC15A2 Q16348 1/20 0.45
GGT1 P19440 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
SCHEMBL11208664 0.88 ITGB2 (0.58) ITGB2ICAM1ITGALCA1CA2
SCHEMBL10658536 0.82 CA1 (0.71) ITGB2ICAM1ITGALCA1CA2
SCHEMBL163397 0.79 ITGB2 (0.60) ITGB2ICAM1ITGALCA1CA2
SCHEMBL27413426 0.79 ITGB2 (0.67) ITGB2ICAM1ITGALCA1CA2
SCHEMBL151336 0.79 ITGB2 (0.60) ITGB2ICAM1ITGALCA1CA2
SCHEMBL27043238 0.79 ITGB2 (0.60) ITGB2ICAM1ITGALCA1CA2
Hydrochloric Acid SCHEMBL11744091 0.77 ITGB2 (0.59) ITGB2ICAM1ITGALCA1CA2
SCHEMBL3378643 0.77 CYP3A4 (0.61) ITGB2ICAM1ITGALCA1CA2
SCHEMBL6026427 0.76 ITGB2 (0.64) ITGB2ICAM1ITGALCA1CA2
SCHEMBL1666697 0.76 ALDH1A1 (0.58) ITGB2ICAM1ITGALCA1CA2

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
EP-0226304-B1 COMPOSITION CONTAINING A PENEM OR CARBAPENEM ANTIBIOTIC SANKYO COMPANY LIMITED (JP) 1991-08-28 EP claimed