SCHEMBL7340504

SCHEMBL7340504

CCc1ccc(NC(=O)OCc2ccccc2)c(=O)n1CC(=O)O

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ELANE P08246 15/20 0.55
CTRC Q99895 5/20 0.55
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
CASP1 P29466 1/20 0.50
F2 P00734 1/20 0.49
PRSS1 P07477 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL2802859 0.89 ELANE (0.64) ELANECTRCNPC1RAB9ACASP1
SCHEMBL2802785 0.89 ELANE (0.56) ELANECTRCNPC1RAB9ACASP1
SCHEMBL2801889 0.88 ELANE (0.65) ELANECTRCNPC1RAB9ACASP1
SCHEMBL2798490 0.86 ELANE (0.64) ELANECTRCNPC1RAB9ACASP1
SCHEMBL21685578 0.83 NPC1 (0.50) ELANECTRCNPC1RAB9ACASP1
SCHEMBL7276488 0.82 ELANE (0.64) ELANECTRCNPC1RAB9ACASP1
SCHEMBL27524499 0.82 ELANE (0.64) ELANECTRCNPC1RAB9ACASP1
SCHEMBL8402442 0.81 ELANE (0.52) ELANECTRCNPC1RAB9ACASP1
SCHEMBL27460345 0.81 ELANE (0.54) ELANECTRCNPC1RAB9ACASP1
SCHEMBL950559 0.79 ELANE (0.53) ELANECTRCNPC1RAB9ACASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-1997046207-A2 AROMATIC HETEROCYCLIC DERIVATIVES AS ENZYME INHIBITORS CORVAS INTERNATIONAL, INC. (US) 1997-12-11 WO disclosed
EP-0804464-A1 AROMATIC HETEROCYCLIC DERIVATIVES AS ENZYME INHIBITORS CORVAS INTERNATIONAL, INC. (US) 1997-11-05 EP disclosed
US-5658930-A THROMBIN INHIBITORS CORVAS INTERNATIONAL, INC. (US) 1997-08-19 US disclosed
WO-1996018644-A9 AROMATIC HETEROCYCLIC DERIVATIVES AS ENZYME INHIBITORS 1996-08-01 WO disclosed
WO-1996018644-A1 AROMATIC HETEROCYCLIC DERIVATIVES AS ENZYME INHIBITORS CORVAS INTERNATIONAL, INC. (US) 1996-06-20 WO disclosed