SCHEMBL6257526

SCHEMBL6257526

CC(C)C[C@H](NCCCP(=O)(O)O)C(=O)N(C(N)=O)[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.40
MME P08473 2/20 0.39
CPA1 P15085 1/20 0.39
CPB1 P15086 1/20 0.39
CPA2 P48052 1/20 0.39
CPA4 Q9UI42 1/20 0.39
ACE2 Q9BYF1 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
SCHEMBL6843865 0.85 ACP3 (0.42) LTA4H
SCHEMBL7367235 0.85 LTA4H (0.38) LTA4HMMECPA1CPB1CPA2
SCHEMBL7367102 0.84 LTA4H (0.37) LTA4HMMECPA1CPB1CPA2
SCHEMBL7386283 0.83 LTA4H (0.37) LTA4HMMECPA1CPB1CPA2
SCHEMBL7368486 0.82 LTA4H (0.36) LTA4HMMECPA1CPB1CPA2
SCHEMBL9351722 0.82 LTA4H (0.36) LTA4HMMECPA1CPB1CPA2
SCHEMBL6917414 0.82 MMP1 (0.41) LTA4HMMECPA1CPB1CPA2
SCHEMBL9352407 0.81 ALDH1A1 (0.39) LTA4H
SCHEMBL6412346 0.80 CPA1 (0.45) CPA1CPB1CPA2CPA4ACE2
SCHEMBL9348204 0.80 ECE1 (0.51) MMEACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1585555-A2 COMPOSITIONS AND METHODS OF USING COLLAGEN AND MMPI ANGIOTECH INTERNATIONAL AG (CH) 2005-10-19 EP disclosed
EP-1458427-A2 COMPOSITIONS COMPRISING COLLAGEN AND METALLOPROTEASE INHIBITORS Angiotech International AG (CA) 2004-09-22 EP disclosed
WO-2004060425-A2 COMPOSITIONS AND METHODS OF USING COLLAGEN AND MMPI ANGIOTECH INTERNATIONAL AG (CH) 2004-07-22 WO disclosed
WO-2003059296-A2 COMPOSITIONS COMPRISING COLLAGEN AND METALLOPROTEASE INHIBITORS ANGIOTECH INTERNATIONAL AG. (CA) 2003-07-24 WO disclosed
WO-2003001983-A2 METHODS FOR DIAGNOSING AND TREATING A DISEASE MEDIATED BY DECREASED MMP-2 FUNCTION MOUNT SINAI SCHOOL OF MEDICINE OF NEW YORK UNIVERSITY (US) 2003-01-09 WO disclosed