SCHEMBL2765669

SCHEMBL2765669

CCOC(=O)OC1CCCN(C(=O)c2ccc(N3CC(NC(=O)c4ccc(Br)s4)CC3=O)cc2C)C1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.40
LMNA P02545 5/20 0.39
POLB P06746 2/20 0.39
GAA P10253 1/20 0.39
BCAT2 O15382 1/20 0.38
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
MAPT P10636 1/20 0.36
F10 P00742 1/20 0.36

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
SCHEMBL2766806 0.91 TP53 (0.41) TP53LMNAPOLBBCAT2ALDH1A1
SCHEMBL3285264 0.89 L3MBTL1 (0.48) LMNAPOLBGAAALDH1A1HPGD
SCHEMBL3286715 0.86 TP53 (0.44) TP53LMNAPOLBALDH1A1HPGD
SCHEMBL3284505 0.86 TP53 (0.44) TP53LMNAPOLBALDH1A1HPGD
SCHEMBL3284178 0.86 TP53 (0.48) TP53LMNAPOLBALDH1A1HPGD
SCHEMBL3285286 0.85 TP53 (0.47) TP53LMNAPOLBALDH1A1HPGD
SCHEMBL3284611 0.85 TP53 (0.47) TP53LMNAPOLBALDH1A1HPGD
SCHEMBL3284580 0.85 TP53 (0.42) TP53LMNAPOLBALDH1A1HPGD
SCHEMBL8261092 0.84 TP53 (0.41) TP53LMNAPOLBALDH1A1HPGD
SCHEMBL3285196 0.84 LMNA (0.48) TP53LMNAPOLBALDH1A1HPGD

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-1858890-B1 NOVEL ANTITHROMBOTIC SUBSTITUTED PYRROLIDINONES, THE PRODUCTION AND USE THEREOF IN THE FORM OF MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2010-04-14 EP disclosed
EP-1858890-A1 NOVEL ANTITHROMBOTIC SUBSTITUTED PYRROLIDINONES, THE PRODUCTION AND USE THEREOF IN THE FORM OF MEDICAMENTS Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2007-11-28 EP disclosed
WO-2006089909-A1 NOVEL ANTITHROMBOTIC SUBSTITUTED PYRROLIDINONES, THE PRODUCTION AND USE THEREOF IN THE FORM OF MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-08-31 WO disclosed