SCHEMBL6344930

SCHEMBL6344930

COc1ccc(C(CC(=O)O)NC(=O)C(CC(=O)Nc2ccc(NC(=O)c3ccccc3)cc2)CC(C)C)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.52
ITGB3 P05106 5/20 0.51
ITGA2B P08514 4/20 0.51
ITGA2 P17301 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.49
ITGB1 P05556 2/20 0.46
ITGA4 P13612 2/20 0.46
KMT2A Q03164 5/20 0.44
MEN1 O00255 3/20 0.44
RAB9A P51151 1/20 0.42
MMP1 P03956 1/20 0.42
MMP3 P08254 1/20 0.42
MMP7 P09237 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
SCHEMBL6346179 0.89 ITGB3 (0.50) POLBITGB3ITGA2BITGA2SMN1; SMN2
SCHEMBL6344072 0.88 POLB (0.51) POLBITGB3ITGA2BSMN1; SMN2ITGB1
SCHEMBL6788398 0.88 POLB (0.51) POLBITGB3ITGA2BITGA2SMN1; SMN2
SCHEMBL6343632 0.86 ITGB1 (0.60) POLBITGB3ITGA2BSMN1; SMN2ITGB1
SCHEMBL6345390 0.84 POLB (0.51) POLBITGB3ITGA2BSMN1; SMN2ITGB1
SCHEMBL6342636 0.84 POLB (0.47) POLBITGB3ITGA2BITGA2SMN1; SMN2
Toluene SCHEMBL6343073 0.84 POLB (0.47) POLBITGB3ITGA2BITGA2SMN1; SMN2
SCHEMBL6354846 0.84 ITGB1 (0.49) POLBITGB3ITGA2BSMN1; SMN2ITGB1
SCHEMBL6342634 0.84 POLB (0.47) POLBITGB3ITGA2BITGA2SMN1; SMN2
SCHEMBL6346378 0.84 POLB (0.51) POLBITGB3ITGA2BITGA2SMN1; 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
US-6949534-B2 Cell adhesion inhibitors BIOGEN IDEC MA INC. (US) 2005-09-27 US claimed