SCHEMBL8028147

SCHEMBL8028147

NC(=O)CC(N[C]=O)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 3/20 0.44
ITGB2 P05107 2/20 0.40
ICAM1 P05362 2/20 0.40
ITGAL P20701 2/20 0.40
CA2 P00918 5/20 0.38
CA1 P00915 4/20 0.38
ALDH1A1 P00352 2/20 0.38
RAB9A P51151 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TGFBR1 P36897 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL8610930 0.82 CA2 (0.42) CA2CA1MAPT
SCHEMBL15904293 0.77
SCHEMBL29742771 0.77 ECE1 (0.47) ECE1ITGB2ICAM1ITGALCA2
SCHEMBL8601335 0.77 ECE1 (0.47) ECE1ITGB2ICAM1ITGALCA2
SCHEMBL3469298 0.75 ECE1 (0.46) ECE1ITGB2ICAM1ITGALCA2
SCHEMBL1009371 0.75 ECE1 (0.50) ECE1ITGB2ICAM1ITGALCA2
SCHEMBL3821101 0.75 ECE1 (0.46) ECE1ITGB2ICAM1ITGALCA2
SCHEMBL5178911 0.75 ECE1 (0.50) ECE1ITGB2ICAM1ITGALCA2
SCHEMBL9633978 0.75
SCHEMBL2702495 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1060166-A1 FIVE-MEMBERED, BENZO-CONDENSED HETEROCYCLES USED AS ANTITHROMBOTIC AGENTS Boehringer Ingelheim Pharma KG (DE) 2000-12-20 EP claimed
US-6114532-A ANTICOAGULANT BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-09-05 US claimed
WO-1999040072-A1 FIVE-MEMBERED, BENZO-CONDENSED HETEROCYCLES USED AS ANTITHROMBOTIC AGENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-08-12 WO claimed
EP-1060166-A1 FIVE-MEMBERED, BENZO-CONDENSED HETEROCYCLES USED AS ANTITHROMBOTIC AGENTS Boehringer Ingelheim Pharma KG (DE) 2000-12-20 EP disclosed
US-6114532-A ANTICOAGULANT BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-09-05 US disclosed
WO-1999040072-A1 FIVE-MEMBERED, BENZO-CONDENSED HETEROCYCLES USED AS ANTITHROMBOTIC AGENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-08-12 WO disclosed