SCHEMBL7367102

SCHEMBL7367102

CC(C)C[C@H](NCCC(P(=O)(O)O)S(C)(=O)=O)C(=O)N(C(N)=O)[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.37
ERAP2 Q6P179 2/20 0.36
ERAP1 Q9NZ08 2/20 0.36
LNPEP Q9UIQ6 2/20 0.36
MME P08473 1/20 0.36
CPA1 P15085 2/20 0.36
CPA2 P48052 2/20 0.36
CPA4 Q9UI42 2/20 0.36
CPB1 P15086 1/20 0.36
ACE2 Q9BYF1 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
SCHEMBL6843865 0.85 ACP3 (0.42) LTA4HERAP2ERAP1LNPEP
SCHEMBL7367235 0.84 LTA4H (0.38) LTA4HERAP2ERAP1LNPEPMME
SCHEMBL6257526 0.84 LTA4H (0.40) LTA4HMMECPA1CPA2CPA4
SCHEMBL7386283 0.83 LTA4H (0.37) LTA4HERAP2ERAP1LNPEPMME
SCHEMBL7368486 0.82 LTA4H (0.36) LTA4HERAP2ERAP1LNPEPMME
SCHEMBL9351722 0.82 LTA4H (0.36) LTA4HERAP2ERAP1LNPEPMME
SCHEMBL6414339 0.81 ECE1 (0.39) LTA4HERAP2ERAP1LNPEPMME
SCHEMBL9352407 0.81 ALDH1A1 (0.39) LTA4H
SCHEMBL9348204 0.80 ECE1 (0.51) MMEACE2
SCHEMBL6412346 0.79 CPA1 (0.45) ERAP2ERAP1LNPEPCPA1CPA2

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-1063991-A1 STATIN-MATRIX METALLOPROTEINASE INHIBITOR COMBINATIONS WARNER-LAMBERT COMPANY LLC (US) 2001-01-03 EP disclosed
EP-1047450-A1 ACE INHIBITOR-MMP INHIBITOR COMBINATIONS WARNER-LAMBERT COMPANY (US) 2000-11-02 EP disclosed
EP-1028716-A1 METHOD FOR TREATING AND PREVENTING HEART FAILURE AND VENTRICULAR DILATATION WARNER-LAMBERT COMPANY (US) 2000-08-23 EP disclosed
EP-0946166-A1 USE OF MATRIX METALLOPROTEINASE INHIBITORS FOR TREATING NEUROLOGICAL DISORDERS AND PROMOTING WOUND HEALING WARNER-LAMBERT COMPANY (US) 1999-10-06 EP disclosed
WO-1999047138-A1 STATIN-MATRIX METALLOPROTEINASE INHIBITOR COMBINATIONS WARNER-LAMBERT COMPANY (US) 1999-09-23 WO disclosed
WO-1999032150-A1 ACE INHIBITOR-MMP INHIBITOR COMBINATIONS WARNER-LAMBERT COMPANY (US) 1999-07-01 WO disclosed
WO-1998026773-A1 USE OF MATRIX METALLOPROTEINASE INHIBITORS FOR TREATING NEUROLOGICAL DISORDERS AND PROMOTING WOUND HEALING WARNER-LAMBERT COMPANY (US) 1998-06-25 WO disclosed
WO-1998025597-A2 METHOD FOR TREATING AND PREVENTING HEART FAILURE AND VENTRICULAR DILATATION WARNER-LAMBERT COMPANY (US) 1998-06-18 WO disclosed
EP-0612324-A1 PHOSPHONOPEPTIDES WITH COLLAGENASE INHIBITING ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1994-08-31 EP disclosed