SCHEMBL6496796

SCHEMBL6496796

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

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGAL P20701 12/20 0.57
ITGB2 P05107 10/20 0.57
ICAM1 P05362 10/20 0.57
CAPN1 P07384 4/20 0.43
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL6496790 1.00 ITGAL (0.57) ITGALITGB2ICAM1CAPN1NPC1
SCHEMBL8297133 1.00 ITGAL (0.57) ITGALITGB2ICAM1CAPN1NPC1
SCHEMBL6497555 0.91 ITGAL (0.56) ITGALITGB2ICAM1CAPN1NPC1
SCHEMBL8296120 0.91 ITGAL (0.56) ITGALITGB2ICAM1CAPN1NPC1
SCHEMBL6497561 0.91 ITGAL (0.56) ITGALITGB2ICAM1CAPN1NPC1
SCHEMBL8296757 0.91 ITGAL (0.55) ITGALITGB2ICAM1CAPN1NPC1
SCHEMBL6498902 0.91 ITGAL (0.55) ITGALITGB2ICAM1CAPN1NPC1
SCHEMBL8297136 0.91 ITGAL (0.53) ITGALITGB2ICAM1CAPN1NPC1
SCHEMBL8296138 0.91 ITGAL (0.55) ITGALITGB2ICAM1CAPN1NPC1
SCHEMBL6498187 0.91 ITGAL (0.55) 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