SCHEMBL6497734

SCHEMBL6497734

CC(NC(=O)C1CCN(C(=O)/C=C/c2ccc(Cl)cc2Cl)CC1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.53
ALDH1A1 P00352 2/20 0.53
SMN1; SMN2 Q16637 3/20 0.47
GAA P10253 2/20 0.47
ITGAL P20701 2/20 0.47
ENPP2 Q13822 3/20 0.45
CAPN1 P07384 3/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
LMNA P02545 1/20 0.45
ITGB2 P05107 1/20 0.44
ICAM1 P05362 1/20 0.44
MAPT P10636 4/20 0.44
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.43
GPR183 P32249 1/20 0.42

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
SCHEMBL6497738 1.00 RAB9A (0.53) RAB9AALDH1A1SMN1; SMN2GAAITGAL
SCHEMBL6503990 0.92 CAPN1 (0.45) RAB9AALDH1A1SMN1; SMN2GAAITGAL
SCHEMBL6503994 0.92 CAPN1 (0.45) RAB9AALDH1A1SMN1; SMN2GAAITGAL
SCHEMBL6504675 0.88 CAPN1 (0.43) RAB9AALDH1A1SMN1; SMN2ITGALENPP2
SCHEMBL6504678 0.88 CAPN1 (0.43) RAB9AALDH1A1SMN1; SMN2ITGALENPP2
SCHEMBL6503636 0.87 ITGAL (0.51) RAB9AALDH1A1SMN1; SMN2ITGALCAPN1
SCHEMBL6503640 0.87 ITGAL (0.51) RAB9AALDH1A1SMN1; SMN2ITGALCAPN1
SCHEMBL8297134 0.87 ITGAL (0.51) RAB9AALDH1A1SMN1; SMN2ITGALCAPN1
SCHEMBL6495775 0.85 ITGAL (0.49) RAB9ASMN1; SMN2ITGALENPP2CAPN1
SCHEMBL6495771 0.85 ITGAL (0.49) RAB9ASMN1; SMN2ITGALENPP2CAPN1

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