SCHEMBL7539136

SCHEMBL7539136

CC(C)COc1ccc(C[C@H](NC(=O)[C@H](CC(C)C)OCc2ccc(Cl)cc2)C(=O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR34 Q9UPC5 3/20 0.50
ACE P12821 6/20 0.48
MME P08473 5/20 0.48
CPA1 P15085 5/20 0.48
ACE2 Q9BYF1 5/20 0.48
FOLH1 Q04609 1/20 0.45
PTPN1 P18031 1/20 0.45
PSMB5 P28074 1/20 0.44
PPARG P37231 3/20 0.44
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MAOB P27338 1/20 0.43

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
SCHEMBL7539133 1.00 GPR34 (0.50) GPR34ACEMMECPA1ACE2
SCHEMBL7541807 0.91 IL1RN (0.49) PSMB5PPARGALDH1A1
SCHEMBL7541803 0.91 IL1RN (0.49) PSMB5PPARGALDH1A1
SCHEMBL7538677 0.81 ACE (0.55) GPR34ACEMMECPA1ACE2
SCHEMBL7538685 0.81 ACE (0.55) GPR34ACEMMECPA1ACE2
SCHEMBL8893622 0.75 MME (0.51) ACEMMECPA1ACE2PPARG
SCHEMBL7541731 0.75 PPARG (0.63) PSMB5PPARGALDH1A1LMNA
SCHEMBL7541726 0.75 PPARG (0.63) PSMB5PPARGALDH1A1LMNA
SCHEMBL7544851 0.74 IL1RN (0.53) ACEMMECPA1ACE2PSMB5
SCHEMBL7544847 0.74 IL1RN (0.53) ACEMMECPA1ACE2PSMB5

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