SCHEMBL8296744

SCHEMBL8296744

C[C@H](NC(=O)C1CCN(C(=O)/C=C/c2ccc(F)c(Cl)c2Cl)CC1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGAL P20701 6/20 0.49
ITGB2 P05107 5/20 0.49
ICAM1 P05362 5/20 0.49
CAPN1 P07384 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
C3AR1 Q16581 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
GPR183 P32249 1/20 0.39
ENPP2 Q13822 1/20 0.39

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
SCHEMBL6495771 1.00 ITGAL (0.49) ITGALITGB2ICAM1CAPN1SMN1; SMN2
SCHEMBL6495775 1.00 ITGAL (0.49) ITGALITGB2ICAM1CAPN1SMN1; SMN2
SCHEMBL6504662 0.90 ITGAL (0.46) ITGALITGB2ICAM1CAPN1SMN1; SMN2
SCHEMBL6504663 0.90 ITGAL (0.46) ITGALITGB2ICAM1CAPN1SMN1; SMN2
SCHEMBL6503636 0.90 ITGAL (0.51) ITGALITGB2ICAM1CAPN1SMN1; SMN2
SCHEMBL8297134 0.90 ITGAL (0.51) ITGALITGB2ICAM1CAPN1SMN1; SMN2
SCHEMBL6503640 0.90 ITGAL (0.51) ITGALITGB2ICAM1CAPN1SMN1; SMN2
SCHEMBL6497518 0.89 ITGAL (0.50) ITGALITGB2ICAM1CAPN1SMN1; SMN2
SCHEMBL6497519 0.89 CAPN1 (0.45) ITGALITGB2ICAM1CAPN1SMN1; SMN2
SCHEMBL6499809 0.89 ITGAL (0.50) ITGALITGB2ICAM1CAPN1SMN1; SMN2

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 disclosed