SCHEMBL6495243

SCHEMBL6495243

CC(NC(=O)C1CCN(C(=O)C=Cc2ccc(SC(F)(F)F)c(Cl)c2Cl)CC1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGAL P20701 14/20 0.54
ITGB2 P05107 12/20 0.54
ICAM1 P05362 12/20 0.54
CAPN1 P07384 3/20 0.41
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 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
SCHEMBL6495238 1.00 ITGAL (0.54) ITGALITGB2ICAM1CAPN1NPC1
SCHEMBL8298119 1.00 ITGAL (0.54) ITGALITGB2ICAM1CAPN1NPC1
SCHEMBL6499985 0.91 ITGAL (0.50) ITGALITGB2ICAM1CAPN1NPC1
SCHEMBL6499983 0.91 ITGAL (0.50) ITGALITGB2ICAM1CAPN1NPC1
SCHEMBL8296098 0.91 ITGAL (0.50) ITGALITGB2ICAM1CAPN1NPC1
SCHEMBL6496796 0.89 ITGAL (0.57) ITGALITGB2ICAM1CAPN1NPC1
SCHEMBL6496790 0.89 ITGAL (0.57) ITGALITGB2ICAM1CAPN1NPC1
SCHEMBL8297133 0.89 ITGAL (0.57) ITGALITGB2ICAM1CAPN1NPC1
SCHEMBL6496042 0.89 ITGAL (0.51) ITGALITGB2ICAM1CAPN1NPC1
SCHEMBL6497555 0.88 ITGAL (0.56) 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