SCHEMBL6344005

SCHEMBL6344005

CC(CC(=O)O)NC(=O)C(C)CC(=O)Nc1ccc(NC(=O)Nc2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.52
HPGD P15428 1/20 0.52
ITGB3 P05106 1/20 0.48
ITGA2B P08514 1/20 0.48
ITGB1 P05556 4/20 0.47
ITGA4 P13612 4/20 0.47
TSHR P16473 2/20 0.47
MAPT P10636 3/20 0.46
GAA P10253 1/20 0.46
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
KMT2A Q03164 2/20 0.45
TAAR1 Q96RJ0 2/20 0.45
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
TP53 P04637 1/20 0.45
EPHX1 P07099 1/20 0.45
EPHX2 P34913 1/20 0.45
CDK9 P50750 1/20 0.45
CLK4 Q9HAZ1 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
SCHEMBL6345159 0.91 ITGB1 (0.61) ITGB3ITGB1ITGA4MAPTNPC1
SCHEMBL6786428 0.84 ITGB3 (0.67) LMNAHPGDITGB3ITGA2BTSHR
SCHEMBL19501811 0.78 LMNA (0.81) LMNAHPGDTSHRMAPTGAA
SCHEMBL6344910 0.77 ITGB1 (0.57) ITGB1ITGA4
SCHEMBL6353720 0.77 POLB (0.58) LMNAHPGDITGB3ITGA2BITGB1
SCHEMBL6794878 0.77 ITGB1 (0.62) ITGB3ITGA2BITGB1ITGA4MAPT
SCHEMBL6346596 0.75 ITGB1 (0.54) ITGB3ITGA2BITGB1ITGA4MAPT
SCHEMBL13645741 0.74 TSHR (0.60) LMNAHPGDTSHRMAPTKMT2A
SCHEMBL10931873 0.74 POLB (0.63) LMNAHPGDTSHRMAPTGAA
SCHEMBL19501437 0.73 MAPT (0.79) HPGDTSHRMAPTGAANPC1

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