SCHEMBL6497150

SCHEMBL6497150

COc1ccc(C(=O)NC[C@H](NC(=O)C2CCN(C(=O)C=Cc3ccc(SC)c(Cl)c3Cl)CC2)C(=O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGAL P20701 8/20 0.48
ITGB2 P05107 7/20 0.48
ICAM1 P05362 7/20 0.48
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
ALDH1A1 P00352 1/20 0.41
CAPN1 P07384 3/20 0.39
GAA P10253 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 1/20 0.38
GPR183 P32249 2/20 0.38
APOBEC3A P31941 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37

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
SCHEMBL6497139 1.00 ITGAL (0.48) ITGALITGB2ICAM1NPC1RAB9A
SCHEMBL6497168 1.00 ITGAL (0.48) ITGALITGB2ICAM1NPC1RAB9A
SCHEMBL6498043 0.93 ITGAL (0.47) ITGALITGB2ICAM1NPC1RAB9A
SCHEMBL6498020 0.93 ITGAL (0.47) ITGALITGB2ICAM1NPC1RAB9A
SCHEMBL6498029 0.93 ITGAL (0.47) ITGALITGB2ICAM1NPC1RAB9A
SCHEMBL6503285 0.93 ITGAL (0.46) ITGALITGB2ICAM1NPC1RAB9A
SCHEMBL6503282 0.93 ITGAL (0.46) ITGALITGB2ICAM1NPC1RAB9A
SCHEMBL8297366 0.92 ITGAL (0.51) ITGALITGB2ICAM1NPC1RAB9A
SCHEMBL6495908 0.92 ITGAL (0.51) ITGALITGB2ICAM1NPC1RAB9A
SCHEMBL6495913 0.92 ITGAL (0.51) 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 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