SCHEMBL6495883

SCHEMBL6495883

CSc1ccc(C=CC(=O)N2CCC(C(=O)O)CC2)c(Cl)c1Cl

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGAL P20701 17/20 0.68
ITGB2 P05107 12/20 0.68
ICAM1 P05362 12/20 0.68
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ENPP2 Q13822 1/20 0.42
MAPT P10636 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL6495878 1.00 ITGAL (0.68) ITGALITGB2ICAM1NPC1RAB9A
SCHEMBL8298709 0.91 ITGAL (0.57) ITGALITGB2ICAM1NPC1RAB9A
SCHEMBL6820886 0.91 ITGAL (0.77) ITGALITGB2ICAM1
SCHEMBL8298631 0.90 ITGAL (0.56) ITGALITGB2ICAM1NPC1RAB9A
SCHEMBL6500029 0.88 ITGAL (0.54) ITGALITGB2ICAM1MAPTL3MBTL1
SCHEMBL6500024 0.88 ITGAL (0.54) ITGALITGB2ICAM1MAPTL3MBTL1
SCHEMBL6496997 0.85 KDM4E (0.59) ITGALITGB2ICAM1NPC1RAB9A
SCHEMBL6496998 0.85 KDM4E (0.59) ITGALITGB2ICAM1NPC1RAB9A
SCHEMBL8297133 0.85 ITGAL (0.57) ITGALITGB2ICAM1NPC1RAB9A
SCHEMBL6496790 0.85 ITGAL (0.57) ITGALITGB2ICAM1NPC1RAB9A

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
WO-2005016883-A2 ACRYLAMIDE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF ICOS CORPORATION (US) 2005-02-24 WO disclosed