SCHEMBL7468071

SCHEMBL7468071

Cc1ccc(NC(=O)Nc2ccc(CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)c3ccc(C(=O)O)cc3)cc2)nc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 15/20 0.44
ITGA4 P13612 15/20 0.44
DGAT1 O75907 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
KEAP1 Q14145 2/20 0.41
NFE2L2 Q16236 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ITGB7 P26010 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
SCHEMBL7467434 0.88 ITGB1 (0.50) ITGB1ITGA4MEN1KMT2ASMN1; SMN2
SCHEMBL7468077 0.86 DGAT1 (0.45) ITGB1ITGA4DGAT1MEN1KMT2A
SCHEMBL7467182 0.86 DGAT1 (0.45) ITGB1ITGA4DGAT1MEN1KMT2A
SCHEMBL7468112 0.80 ITGB3 (0.50) ITGB1ITGA4RAB9ASMN1; SMN2ITGB7
SCHEMBL7467201 0.76 ITGB1 (0.51) ITGB1ITGA4SMN1; SMN2ITGB7
SCHEMBL7687421 0.76 ITGB1 (0.51) ITGB1ITGA4SMN1; SMN2ITGB7
SCHEMBL7467289 0.76 RAB9A (0.51) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL7466878 0.76 ATM (0.43) ITGB1ITGA4DGAT1MEN1KMT2A
SCHEMBL7467449 0.76 ATM (0.43) ITGB1ITGA4DGAT1MEN1KMT2A
SCHEMBL7423736 0.74 ITGB1 (0.58) ITGB1ITGA4ITGB7

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
EP-0805796-B1 CELL ADHESION INHIBITORS BIOGEN INC (US) 2002-12-11 EP claimed