SCHEMBL10888014

SCHEMBL10888014

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

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.64
ACE P12821 3/20 0.59
ITGB2 P05107 3/20 0.57
ICAM1 P05362 3/20 0.57
ITGAL P20701 3/20 0.57
ECE1 P42892 4/20 0.56
NMBR P28336 2/20 0.56
FPR2 P25090 1/20 0.55
ERAP2 Q6P179 1/20 0.55

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
SCHEMBL28836525 1.00 ALOX15 (0.64) ALOX15ACEITGB2ICAM1ITGAL
SCHEMBL29908071 1.00 ALOX15 (0.64) ALOX15ACEITGB2ICAM1ITGAL
SCHEMBL28836524 1.00 ALOX15 (0.64) ALOX15ACEITGB2ICAM1ITGAL
SCHEMBL732867 0.89 ALOX15 (0.59) ALOX15ACEITGB2ICAM1ITGAL
SCHEMBL11370918 0.85 ALOX15 (0.67) ALOX15ACEITGB2ICAM1ITGAL
SCHEMBL11370921 0.85 ALOX15 (0.67) ALOX15ACEITGB2ICAM1ITGAL
SCHEMBL1285921 0.84 NMBR (0.76) ALOX15ACEECE1NMBR
SCHEMBL3808330 0.84 NMBR (0.76) ALOX15ACEECE1NMBR
SCHEMBL29386277 0.84 NMBR (0.76) ALOX15ACEECE1NMBR
SCHEMBL29935468 0.84 NMBR (0.76) ALOX15ACEECE1NMBR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0109044-B1 PENEMS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, PROCESS FOR PREPARING THEM SCHERING CORPORATION (US) 1986-10-15 EP disclosed
US-4540580-A 2-[(1'R)-1'-Aminoalkyl]penems SCHERING CORPORATION (US) 1985-09-10 US disclosed
EP-0109044-A1 Penems, pharmaceutical compositions containing them, process for preparing them SCHERING CORPORATION (US) 1984-05-23 EP disclosed