SCHEMBL7230385

SCHEMBL7230385

C=CCOC(=O)Nc1cccn(CC(=O)OCC)c1=O

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ELANE P08246 4/20 0.47
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 4/20 0.43
HPGD P15428 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NLRP3 Q96P20 3/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAPT P10636 1/20 0.39
RECQL P46063 1/20 0.39

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
SCHEMBL7224254 0.87 KMT2A (0.47) ELANEKDM4EALDH1A1HPGDMEN1
SCHEMBL7444479 0.82 ELANE (0.60) ELANEKDM4EALDH1A1HPGDMEN1
SCHEMBL7275671 0.82 PKM (0.54) ELANEKDM4EALDH1A1HPGDMEN1
SCHEMBL2831481 0.73 ALDH1A1 (0.52) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL27476684 0.72 ELANE (0.62) ELANEKDM4EALDH1A1HPGDMEN1
SCHEMBL5180011 0.72 ALDH1A1 (0.51) KDM4EALDH1A1MAPT
SCHEMBL2824950 0.71 ALDH1A1 (0.50) KDM4EALDH1A1MEN1KMT2ANPSR1
SCHEMBL3911656 0.71 ALDH1A1 (0.50) ELANEKDM4EALDH1A1MAPT
SCHEMBL2801105 0.70 ELANE (0.62) ELANEKDM4EALDH1A1HPGDMEN1
SCHEMBL2825127 0.70 KDM4E (0.49) KDM4EALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6608204-B1 Peptide aldehyde having arginine or arginine mimics at P1 and pyridone, pyrimidone, or uracil groups; antithrombosis agents CORVAS INTERNATIONAL, INC. 2003-08-19 US disclosed
EP-0804464-B1 AROMATIC HETEROCYCLIC DERIVATIVES AS ENZYME INHIBITORS CORVAS INT INC (US) 2002-05-08 EP disclosed
US-6342504-B1 PEPTIDES AS ANTITHROMBINS AND ANTICOAGULANTS CORVAS INTERNATIONAL, INC. 2002-01-29 US disclosed
US-6011158-A PEPTIDE ALDEHYDE COMPOUNDS HAVING ARGININE OR ARGININE MIMICS AT P1 AND PYRIDONE, PYRIMIDONE, OR URACIL GROUPS AS PART OF THE PEPTIDE BACKBONE. THESE COMPOUNDS ARE POTENT INHIBITORS OF THROMBIN IN VIVO AND IN VITRO. CORVAS INTERNATIONAL, INC. (US) 2000-01-04 US disclosed
US-6008351-A PEPTIDE ALDEHYDE COMPOUNDS HAVING URACIL OR PYRIMIDIN-4-ONE GROUPS AS PART OF THE PEPTIDE BACKBONE; POTENT INHIBITORS OF THROMBIN CORVAS INTERNATIONAL, INC. (US) 1999-12-28 US disclosed
US-5658930-A THROMBIN INHIBITORS CORVAS INTERNATIONAL, INC. (US) 1997-08-19 US disclosed
US-5656645-A INHIBITORS OF THROMBIN CORVAS INTERNATIONAL, INC. (US) 1997-08-12 US disclosed
WO-1996018644-A9 AROMATIC HETEROCYCLIC DERIVATIVES AS ENZYME INHIBITORS 1996-08-01 WO disclosed