SCHEMBL18878768

SCHEMBL18878768

CC(=O)C(Cc1cnc[nH]1)NC(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
REN P00797 12/20 0.49
HRH3 Q9Y5N1 3/20 0.46
ITGB2 P05107 2/20 0.46
ICAM1 P05362 2/20 0.46
ITGAL P20701 2/20 0.46
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43

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
SCHEMBL14028689 0.90 ITGB2 (0.57) RENHRH3ITGB2ICAM1ITGAL
SCHEMBL1133307 0.90 ITGB2 (0.57) RENHRH3ITGB2ICAM1ITGAL
SCHEMBL1132649 0.90 ITGB2 (0.57) RENHRH3ITGB2ICAM1ITGAL
SCHEMBL18814494 0.89 REN (0.49) RENHRH3ITGB2ICAM1ITGAL
SCHEMBL28684251 0.89 ITGB2 (0.56) RENHRH3ITGB2ICAM1ITGAL
SCHEMBL1486141 0.89 REN (0.49) RENHRH3ITGB2ICAM1ITGAL
SCHEMBL13187470 0.87 ITGB2 (0.49) RENHRH3ITGB2ICAM1ITGAL
SCHEMBL26144463 0.85 REN (0.57) REN
SCHEMBL13609238 0.84 HRH3 (0.51) HRH3
SCHEMBL29290115 0.83 REN (0.55) REN

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-3170812-A1 IMIDAZOLE COMPOUND AND LIPOSOME CONTAINING SAME Fujifilm Corporation (JP) 2017-05-24 EP disclosed