SCHEMBL5700862

SCHEMBL5700862

O=C(O)CCCC(=O)N[C@H](CC(=O)O)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 11/20 0.60
ITGA2B P08514 7/20 0.60
ITGAV P06756 6/20 0.53
ITGB5 P18084 4/20 0.53
ITGB6 P18564 4/20 0.53
SMN1; SMN2 Q16637 2/20 0.50
ITGB8 P26012 2/20 0.50
ALDH1A1 P00352 1/20 0.45
HTT P42858 1/20 0.45
NCOA1 Q15788 1/20 0.45
NCOA3 Q9Y6Q9 1/20 0.45

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
SCHEMBL5700867 1.00 ITGB3 (0.60) ITGB3ITGA2BITGAVITGB5ITGB6
SCHEMBL9829985 0.88 SMN1; SMN2 (0.57) ITGB3ITGA2BITGAVITGB5ITGB6
SCHEMBL27758299 0.86 ASAH1 (0.60) ITGB3ITGA2BITGAVITGB5ITGB6
SCHEMBL9829245 0.84 SMN1; SMN2 (0.60) ITGB3ITGA2BITGAVITGB5ITGB6
SCHEMBL6827881 0.83 ITGB3 (0.62) ITGB3ITGA2BSMN1; SMN2ALDH1A1HTT
SCHEMBL9844424 0.81 NPSR1 (0.56) ALDH1A1
SCHEMBL6857593 0.81 SMN1; SMN2 (0.64) ITGB3ITGA2BITGAVITGB5ITGB6
SCHEMBL13702523 0.80 ITGB3 (0.52) ITGB3ITGA2BITGAVITGB5ITGB6
SCHEMBL13702524 0.80 ITGB3 (0.52) ITGB3ITGA2BITGAVITGB5ITGB6
SCHEMBL6355786 0.80 ALDH1A1 (0.69) ITGB3ITGA2BITGAVITGB5ITGB6

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1027328-B1 SUBSTITUTED ANILIDES AVENTIS PHARMA LTD (GB) 2006-08-23 EP disclosed
US-6479519-B1 INHIBITORS OF CELL ADHESION; TREATMENT OF ASTHMA OR INFLAMMATORY BOWEL DISEASE AVENTIS PHARMA LIMITED (GB) 2002-11-12 US disclosed
CN-1327443-A Substituted anilide compounds ARVENTIS PHARMACEUTICALS CO LT (GB) 2001-12-19 CN disclosed