SCHEMBL6504239

SCHEMBL6504239

CSc1ccc(C=CC(=O)N2CCC(C(=O)NC(C(=O)O)(c3ccccc3)C(NC(C)=O)c3ccccc3)CC2)c(Cl)c1Cl

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGAL P20701 13/20 0.48
ITGB2 P05107 10/20 0.48
ICAM1 P05362 10/20 0.48
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CAPN1 P07384 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
C3AR1 Q16581 1/20 0.33
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33

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
SCHEMBL6504235 0.81 ITGAL (0.50) ITGALITGB2ICAM1NPC1RAB9A
SCHEMBL6506010 0.77 ITGAL (0.47) ITGALITGB2ICAM1NPC1RAB9A
SCHEMBL6496796 0.76 ITGAL (0.57) ITGALITGB2ICAM1NPC1RAB9A
SCHEMBL6496790 0.76 ITGAL (0.57) ITGALITGB2ICAM1NPC1RAB9A
SCHEMBL8297133 0.76 ITGAL (0.57) ITGALITGB2ICAM1NPC1RAB9A
SCHEMBL6498212 0.76 ITGAL (0.52) ITGALITGB2ICAM1NPC1RAB9A
SCHEMBL6497898 0.76 ITGAL (0.52) ITGALITGB2ICAM1NPC1RAB9A
SCHEMBL6497043 0.75 ITGAL (0.49) ITGALITGB2ICAM1NPC1RAB9A
SCHEMBL8296138 0.75 ITGAL (0.55) ITGALITGB2ICAM1NPC1RAB9A
SCHEMBL6498184 0.75 ITGAL (0.55) 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 claimed