SCHEMBL7544338

SCHEMBL7544338

CC(C)(C)OC(CC(=O)O)NC(=O)c1ccc(N2CCC(Nc3ncccn3)CC2)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.41
ITGAV P06756 3/20 0.41
ITGA2B P08514 3/20 0.41
FFAR4 Q5NUL3 2/20 0.38
GAA P10253 3/20 0.38
NPY2R P49146 1/20 0.38
MTTP P55157 1/20 0.38
USP30 Q70CQ3 3/20 0.37
HPGD P15428 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MAPT P10636 4/20 0.37
ALDH1A1 P00352 3/20 0.37
LMNA P02545 2/20 0.37
TSHR P16473 2/20 0.37
NPC1 O15118 1/20 0.37
ALOX15 P16050 1/20 0.37
MAPK1 P28482 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 1/20 0.37
KMT2A Q03164 2/20 0.36

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
SCHEMBL6798772 0.87 ITGB3 (0.44) ITGB3ITGAVITGA2BFFAR4GAA
SCHEMBL6800173 0.86 CASR (0.43) ITGB3ITGAVITGA2B
SCHEMBL382678 0.85 ITGB3 (0.44) ITGB3ITGAVITGA2BFFAR4GAA
SCHEMBL7544319 0.84 ITGB3 (0.49) ITGB3ITGAVITGA2BFFAR4GAA
SCHEMBL6797599 0.80 ITGB3 (0.39) ITGB3ITGAVITGA2BFFAR4GAA
SCHEMBL382848 0.80 ITGB3 (0.42) ITGB3ITGAVITGA2BFFAR4GAA
SCHEMBL384053 0.79 ITGB3 (0.41) ITGB3ITGAVITGA2BFFAR4HPGD
SCHEMBL383239 0.79 ITGB3 (0.55) ITGB3ITGAVITGA2BFFAR4GAA
SCHEMBL6796296 0.79 ITGB3 (0.41) ITGB3ITGAVITGA2BFFAR4GAA
SCHEMBL383373 0.78 ITGB3 (0.40) ITGB3ITGAVITGA2BFFAR4GAA

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
EP-1209152-A1 OMEGA-AMINO-ALPHA-HYDROXYCARBOXYLIC ACID DERIVATIVES HAVING INTEGRIN ALPHA V BETA 3 ANTAGONISM MEIJI SEIKA KAISHA LTD. (JP) 2002-05-29 EP claimed
EP-1209152-A1 OMEGA-AMINO-ALPHA-HYDROXYCARBOXYLIC ACID DERIVATIVES HAVING INTEGRIN ALPHA V BETA 3 ANTAGONISM MEIJI SEIKA KAISHA LTD. (JP) 2002-05-29 EP disclosed