SCHEMBL6503285

SCHEMBL6503285

CSc1ccc(C=CC(=O)N2CCC(C(=O)NC(CNC(=O)c3ccc(Cl)cc3)C(=O)O)CC2)c(Cl)c1Cl

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGAL P20701 10/20 0.46
ITGB2 P05107 9/20 0.46
ICAM1 P05362 9/20 0.46
CAPN1 P07384 4/20 0.41
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
CASP3 P42574 1/20 0.36
ENPP2 Q13822 1/20 0.36

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
SCHEMBL6503282 1.00 ITGAL (0.46) ITGALITGB2ICAM1CAPN1MEN1
SCHEMBL8297366 0.94 ITGAL (0.51) ITGALITGB2ICAM1CAPN1MEN1
SCHEMBL6495908 0.94 ITGAL (0.51) ITGALITGB2ICAM1CAPN1MEN1
SCHEMBL6495913 0.94 ITGAL (0.51) ITGALITGB2ICAM1CAPN1MEN1
SCHEMBL6497925 0.94 ITGAL (0.45) ITGALITGB2ICAM1CAPN1MEN1
SCHEMBL6497938 0.94 ITGAL (0.45) ITGALITGB2ICAM1CAPN1MEN1
SCHEMBL6497930 0.94 ITGAL (0.45) ITGALITGB2ICAM1CAPN1MEN1
SCHEMBL6497150 0.93 ITGAL (0.48) ITGALITGB2ICAM1CAPN1NPC1
SCHEMBL6497168 0.93 ITGAL (0.48) ITGALITGB2ICAM1CAPN1NPC1
SCHEMBL6497139 0.93 ITGAL (0.48) ITGALITGB2ICAM1CAPN1NPC1

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