SCHEMBL7014651

SCHEMBL7014651

O=C(O)CCc1cccc(Sc2ccc(NC(=O)c3cccc(NC(=O)NCc4ccccc4)c3)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.49
PPARG P37231 1/20 0.49
MAPT P10636 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
ROCK2 O75116 3/20 0.48
NAMPT P43490 5/20 0.48
ITGB3 P05106 2/20 0.47
ITGA2B P08514 2/20 0.47
HPSE Q9Y251 1/20 0.45
LMNA P02545 1/20 0.45
MAPK1 P28482 1/20 0.45
ITGB1 P05556 1/20 0.45
ITGAV P06756 1/20 0.45
ITGB5 P18084 1/20 0.45
SENP1 Q9P0U3 1/20 0.44
SIRT1 Q96EB6 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
SCHEMBL7382386 0.88 PPARG (0.63) KDRPPARGNPC1RAB9AROCK2
SCHEMBL7856448 0.82 PPARG (0.68) KDRPPARGMAPTNPC1RAB9A
SCHEMBL8500095 0.81 PPARG (0.59) KDRPPARGMAPTNPC1RAB9A
SCHEMBL7372561 0.78 KCNK3 (0.56) KDRPPARGMAPTNPC1RAB9A
SCHEMBL2833493 0.77 ITGB3 (0.51) KDRMAPTNPC1RAB9AROCK2
SCHEMBL7372874 0.76 NAMPT (0.57) MAPTNPC1RAB9AROCK2NAMPT
SCHEMBL8500098 0.76 PPARG (0.50) KDRPPARGNPC1RAB9AITGB3
SCHEMBL2837406 0.74 ITGB3 (0.54) KDRMAPTNPC1RAB9AROCK2
SCHEMBL7372795 0.73 PPARG (0.54) PPARGNPC1RAB9AROCK2ITGB3
SCHEMBL7453653 0.73 PPARG (0.54) PPARGNPC1RAB9AROCK2ITGB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1282602-A1 PROPANOIC ACID DERIVATIVES AS INTEGRIN RECEPTOR ANTAGONISTS Pharmacia Italia S.p.A. (IT) 2003-02-12 EP claimed
WO-2001087840-A1 PROPANOIC ACID DERIVATIVES AS INTEGRIN RECEPTOR ANTAGONISTS PHARMACIA ITALIA S.P.A. (IT) 2001-11-22 WO claimed