SCHEMBL7538205

SCHEMBL7538205

CC(C)(C)[C@@H](CCCc1ccccc1)C(=O)N[C@@H](Cc1ccc(OCC2CCCCC2)cc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 9/20 0.55
MMP3 P08254 9/20 0.55
ITGB3 P05106 5/20 0.48
ITGA2B P08514 5/20 0.48
MMP2 P08253 6/20 0.47
MME P08473 3/20 0.47
ACE P12821 3/20 0.47
CPA1 P15085 3/20 0.47
ACE2 Q9BYF1 3/20 0.47
MMP9 P14780 2/20 0.47
YAP1 P46937 2/20 0.44
ITGAV P06756 1/20 0.44

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
SCHEMBL7538473 0.97 MMP1 (0.52) MMP1MMP3ITGB3ITGA2BMMP2
SCHEMBL7539574 0.93 MMP1 (0.50) MMP1MMP3MMP2MMP9YAP1
SCHEMBL7539566 0.93 MMP1 (0.50) MMP1MMP3MMP2MMP9YAP1
SCHEMBL7539569 0.93 MMP1 (0.50) MMP1MMP3MMP2MMP9YAP1
SCHEMBL7541280 0.91 MME (0.52) MMP1MMP3ITGB3ITGA2BMME
SCHEMBL7541284 0.91 MME (0.52) MMP1MMP3ITGB3ITGA2BMME
SCHEMBL7541287 0.91 MME (0.52) MMP1MMP3ITGB3ITGA2BMME
SCHEMBL7538460 0.89 MMP1 (0.51) MMP1MMP3MMP2MMEACE
SCHEMBL7538466 0.89 MMP1 (0.51) MMP1MMP3MMP2MMEACE
SCHEMBL7538836 0.86 MME (0.50) MMP1MMP3ITGB3ITGA2BMMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1209147-A1 CARBOXYLIC ACID DERIVATIVES AND ADHESION MOLECULE INHIBITORS CONTAINING THE SAME AS THE ACTIVE INGREDIENT TORAY INDUSTRIES, INC. (JP) 2002-05-29 EP disclosed