SCHEMBL6495596

SCHEMBL6495596

CC(C)(C)COC(=O)N[C@@H](Cc1ccc2oc(CCC=O)cc(=O)c2c1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.44
ITGAV P06756 3/20 0.44
TYR P14679 3/20 0.40
PPARG P37231 1/20 0.36
ITGA2B P08514 2/20 0.35
ACE P12821 1/20 0.34
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
ALOX15 P16050 1/20 0.33
CAPN1 P07384 1/20 0.33
KMT2A Q03164 1/20 0.33
ECE1 P42892 1/20 0.33
ITGB1 P05556 1/20 0.33
ITGA5 P08648 1/20 0.33

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
SCHEMBL5208511 0.91 ITGB3 (0.37) ITGB3ITGAVTYRPPARGPDCD1
SCHEMBL6498071 0.89 ITGB3 (0.44) ITGB3ITGAVTYRPPARGITGA2B
SCHEMBL3052420 0.88 ITGB3 (0.44) ITGB3ITGAVTYRPPARGITGA2B
SCHEMBL6495736 0.86 ITGB3 (0.44) ITGB3ITGAVTYRPPARGITGA2B
SCHEMBL3048114 0.84 ITGB3 (0.44) ITGB3ITGAVTYRPPARGITGA2B
SCHEMBL3048694 0.80 ITGB1 (0.50) ITGB3ITGAVTYRITGA2BITGB1
SCHEMBL14431255 0.80 ITGB1 (0.50) ITGB3ITGAVTYRITGA2BITGB1
SCHEMBL5206753 0.80 ALOX15 (0.39) ITGB3ITGAVTYRPPARGALOX15
SCHEMBL14431276 0.80 ITGB3 (0.39) ITGB3ITGAVTYRPPARGITGA2B
SCHEMBL3046466 0.80 ITGB3 (0.39) ITGB3ITGAVTYRPPARGITGA2B

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-6849646-B1 Chromenone and chromanone derivatives as integrin inhibitors MERCK PATENT GMBH (DE) 2005-02-01 US disclosed