SCHEMBL6499809

SCHEMBL6499809

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

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGAL P20701 6/20 0.50
ITGB2 P05107 5/20 0.50
ICAM1 P05362 5/20 0.50
CAPN1 P07384 4/20 0.45
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
POLB P06746 2/20 0.38
ALDH1A1 P00352 2/20 0.38
APOBEC3A P31941 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
MAPT P10636 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL6499807 1.00 ITGAL (0.50) ITGALITGB2ICAM1CAPN1NPC1
SCHEMBL8296268 1.00 ITGAL (0.50) ITGALITGB2ICAM1CAPN1NPC1
SCHEMBL6503640 0.91 ITGAL (0.51) ITGALITGB2ICAM1CAPN1NPC1
SCHEMBL8297134 0.91 ITGAL (0.51) ITGALITGB2ICAM1CAPN1NPC1
SCHEMBL6503636 0.91 ITGAL (0.51) ITGALITGB2ICAM1CAPN1NPC1
SCHEMBL6500190 0.90 ITGAL (0.47) ITGALITGB2ICAM1CAPN1NPC1
SCHEMBL6500187 0.90 ITGAL (0.47) ITGALITGB2ICAM1CAPN1NPC1
SCHEMBL8297449 0.90 ITGAL (0.47) ITGALITGB2ICAM1CAPN1NPC1
SCHEMBL6497518 0.90 ITGAL (0.50) ITGALITGB2ICAM1CAPN1NPC1
SCHEMBL8297585 0.90 ITGAL (0.50) 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