SCHEMBL7364381

SCHEMBL7364381

C=CCc1ccc(N)c(=O)n1CC(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 4/20 0.37
GLA P06280 1/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
ALDH1A1 P00352 6/20 0.33
HSD17B10 Q99714 6/20 0.33
KDM4E B2RXH2 5/20 0.33
HPGD P15428 4/20 0.33
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
POLB P06746 3/20 0.31
ALOX15 P16050 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
GAA P10253 1/20 0.31
RECQL P46063 1/20 0.31
CASP6 P55212 1/20 0.31
TSHR P16473 1/20 0.31
PKM P14618 1/20 0.31

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
SCHEMBL7333613 0.80 APEX1 (0.40) APEX1GLAKMT2AMEN1ALDH1A1
SCHEMBL2801401 0.76 APEX1 (0.44) APEX1GLAKMT2AMEN1ALDH1A1
SCHEMBL4456432 0.76 APEX1 (0.42) APEX1GLAKMT2AMEN1ALDH1A1
SCHEMBL4456640 0.75 ALDH1A1 (0.44) APEX1GLAKMT2AMEN1ALDH1A1
SCHEMBL4463965 0.75 CASP1 (0.40) APEX1KMT2AMEN1ALDH1A1HSD17B10
SCHEMBL4452759 0.69 ALDH1A1 (0.59) APEX1GLAKMT2AMEN1ALDH1A1
SCHEMBL7365406 0.67 KMT2A (0.37) APEX1KMT2AMEN1ALDH1A1KDM4E
SCHEMBL197253 0.64 ELANE (0.49) APEX1KMT2AMEN1ALDH1A1KDM4E
SCHEMBL16923583 0.62 F2 (0.36) APEX1KMT2AMEN1ALDH1A1HSD17B10
SCHEMBL8642423 0.62 KDM4E (0.51) GLAKMT2AMEN1ALDH1A1HSD17B10

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
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
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