SCHEMBL7098660

SCHEMBL7098660

CC1(C(=O)O)CCC(C(=O)N[C@@H](Cc2cccc(OCc3ccccc3)c2)C(=O)O)C1(C)C

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.53
ACE P12821 1/20 0.53
CPA1 P15085 1/20 0.53
ACE2 Q9BYF1 1/20 0.53
GPR132 Q9UNW8 6/20 0.52
GPR34 Q9UPC5 3/20 0.46
NPSR1 Q6W5P4 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ADAM17 P78536 1/20 0.44
PTPN1 P18031 1/20 0.44
CMKLR2 P46091 1/20 0.44
CMKLR1 Q99788 1/20 0.44
PPARG P37231 1/20 0.43
YAP1 P46937 1/20 0.42

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
SCHEMBL7098661 1.00 MME (0.53) MMEACECPA1ACE2GPR132
SCHEMBL7101959 0.91 PPARG (0.54) MMEACECPA1ACE2GPR132
SCHEMBL7101955 0.91 PPARG (0.54) MMEACECPA1ACE2GPR132
SCHEMBL7103977 0.85 MEN1 (0.48) MMEACECPA1ACE2GPR34
SCHEMBL7102219 0.84 PPARG (0.54) NPSR1MEN1KMT2APPARGYAP1
SCHEMBL7102218 0.84 PPARG (0.54) NPSR1MEN1KMT2APPARGYAP1
SCHEMBL7097645 0.84 MME (0.49) MMEACECPA1ACE2NPSR1
SCHEMBL7100731 0.81 MEN1 (0.48) GPR34NPSR1MEN1KMT2AADAM17
SCHEMBL7100733 0.81 MEN1 (0.48) GPR34NPSR1MEN1KMT2AADAM17
SCHEMBL7098305 0.81 ITGA4 (0.61)

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-0991619-B1 INHIBITORS OF ALPHA 4-BETA 1 MEDIATED CELL ADHESION TANABE SEIYAKU CO (JP) 2003-09-10 EP claimed