SCHEMBL6498071

SCHEMBL6498071

CC(C)(C)COC(=O)N[C@@H](Cc1ccc2oc(CCCO)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 2/20 0.44
TYR P14679 3/20 0.40
ALOX15 P16050 1/20 0.38
ITGA2B P08514 3/20 0.36
PPARG P37231 1/20 0.36
ECE1 P42892 2/20 0.35
ACE P12821 1/20 0.34
CTSK P43235 1/20 0.34
MME P08473 1/20 0.34
STS P08842 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CAPN1 P07384 1/20 0.34

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
SCHEMBL3052420 0.92 ITGB3 (0.44) ITGB3ITGAVTYRALOX15ITGA2B
SCHEMBL5206753 0.91 ALOX15 (0.39) ITGB3ITGAVTYRALOX15PPARG
SCHEMBL6495736 0.91 ITGB3 (0.44) ITGB3ITGAVTYRALOX15ITGA2B
SCHEMBL6495596 0.89 ITGB3 (0.44) ITGB3ITGAVTYRALOX15ITGA2B
SCHEMBL3048114 0.88 ITGB3 (0.44) ITGB3ITGAVTYRALOX15ITGA2B
SCHEMBL3048694 0.84 ITGB1 (0.50) ITGB3ITGAVTYRITGA2B
SCHEMBL14431255 0.84 ITGB1 (0.50) ITGB3ITGAVTYRITGA2B
SCHEMBL14431276 0.84 ITGB3 (0.39) ITGB3ITGAVTYRALOX15ITGA2B
SCHEMBL3046466 0.84 ITGB3 (0.39) ITGB3ITGAVTYRALOX15ITGA2B
SCHEMBL5205119 0.82 ITGB3 (0.38) ITGB3ITGAVTYRALOX15PPARG

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