SCHEMBL7538677

SCHEMBL7538677

CC(C)C[C@H](OCc1ccccc1)C(=O)NC(Cc1ccc(OCC(C)(C)C)cc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACE P12821 5/20 0.55
MME P08473 5/20 0.55
CPA1 P15085 4/20 0.55
ACE2 Q9BYF1 4/20 0.55
PSMB5 P28074 1/20 0.51
PPARG P37231 2/20 0.50
ITGB3 P05106 2/20 0.49
ITGA2B P08514 2/20 0.49
GPR34 Q9UPC5 1/20 0.47
MMP2 P08253 1/20 0.47
MMP7 P09237 1/20 0.47
MMP9 P14780 1/20 0.47
MMP12 P39900 1/20 0.47
MMP13 P45452 1/20 0.47

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
SCHEMBL7538685 1.00 ACE (0.55) ACEMMECPA1ACE2PSMB5
SCHEMBL7544847 0.92 IL1RN (0.53) ACEMMECPA1ACE2PSMB5
SCHEMBL7544851 0.92 IL1RN (0.53) ACEMMECPA1ACE2PSMB5
SCHEMBL7540879 0.85 MME (0.55) ACEMMECPA1ACE2PPARG
SCHEMBL7540882 0.85 MME (0.55) ACEMMECPA1ACE2PPARG
SCHEMBL7539136 0.81 GPR34 (0.50) ACEMMECPA1ACE2PSMB5
SCHEMBL7539133 0.81 GPR34 (0.50) ACEMMECPA1ACE2PSMB5
SCHEMBL7541085 0.77 ALDH1A1 (0.53) ACEMMECPA1ACE2PPARG
SCHEMBL7541086 0.77 ALDH1A1 (0.53) ACEMMECPA1ACE2PPARG
SCHEMBL8210636 0.76 ACE (0.64) ACEMMECPA1ACE2PPARG

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