SCHEMBL7103977

SCHEMBL7103977

CC1(C(=O)O)CCC(C(=O)N[C@@H](Cc2ccc(OCc3ccc4ccccc4c3)cc2)C(=O)O)C1(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
PLG P00747 1/20 0.48
PRSS1 P07477 1/20 0.48
PRSS2 P07478 1/20 0.48
PRSS3 P35030 1/20 0.48
PTPN1 P18031 2/20 0.47
PPARG P37231 3/20 0.46
GPR34 Q9UPC5 4/20 0.45
MAOB P27338 1/20 0.45
YAP1 P46937 2/20 0.44
MME P08473 1/20 0.44
ACE P12821 1/20 0.44
CPA1 P15085 1/20 0.44
ACE2 Q9BYF1 1/20 0.44
ITGA4 P13612 3/20 0.43
ITGB1 P05556 1/20 0.43
PPARD Q03181 1/20 0.43
PPARA Q07869 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
SCHEMBL7101955 0.92 PPARG (0.54) MEN1KMT2ANPSR1PPARGGPR34
SCHEMBL7101959 0.92 PPARG (0.54) MEN1KMT2ANPSR1PPARGGPR34
SCHEMBL7097645 0.91 MME (0.49) MEN1KMT2ANPSR1MMEACE
SCHEMBL7100733 0.88 MEN1 (0.48) MEN1KMT2ANPSR1GPR34MAOB
SCHEMBL7100731 0.88 MEN1 (0.48) MEN1KMT2ANPSR1GPR34MAOB
SCHEMBL7102218 0.85 PPARG (0.54) MEN1KMT2ANPSR1PPARGYAP1
SCHEMBL7102219 0.85 PPARG (0.54) MEN1KMT2ANPSR1PPARGYAP1
SCHEMBL7098661 0.85 MME (0.53) MEN1KMT2ANPSR1PTPN1PPARG
SCHEMBL7098660 0.85 MME (0.53) MEN1KMT2ANPSR1PTPN1PPARG
SCHEMBL7098304 0.84 ITGA4 (0.61) ITGA4ITGB1

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