SCHEMBL5207840

SCHEMBL5207840

CCOC(=O)[C@H](Cc1ccc2oc(CCCN(C(=O)OCC(Cl)(Cl)Cl)c3ccccn3)cc(=O)c2c1)NC(=O)OCC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.32
ITGB3 P05106 1/20 0.31
ITGAV P06756 1/20 0.31
ITGB1 P05556 1/20 0.31
ITGA5 P08648 1/20 0.31
TYR P14679 1/20 0.30
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL14431254 1.00 MAPT (0.32) MAPTITGB3ITGAVITGB1ITGA5
SCHEMBL6503598 0.94 ITGB1 (0.37) MAPTITGB3ITGAVITGB1ITGA5
SCHEMBL5203778 0.89 ITGB3 (0.32) ITGB3ITGAV
SCHEMBL6495275 0.83 ITGB3 (0.36) ITGB3ITGAVITGB1ITGA5TYR
SCHEMBL5207016 0.82 ITGB1 (0.42) ITGB3ITGAVITGB1ITGA5TYR
SCHEMBL14431257 0.82 ITGB1 (0.42) ITGB3ITGAVITGB1ITGA5TYR
SCHEMBL5206753 0.80 ALOX15 (0.39) MAPTITGB3ITGAVTYRKDM4E
SCHEMBL5202544 0.78 ITGB3 (0.31) ITGB3ITGAV
SCHEMBL5205119 0.78 ITGB3 (0.38) ITGB3ITGAVTYRKDM4ELMNA
SCHEMBL5210309 0.78 TYR (0.41) ITGB3ITGAVTYRKDM4ELMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1124824-B1 CHROMENONE AND CHROMANONE DERIVATIVES AS INTEGRIN INHIBITORS MERCK PATENT GMBH (DE) 2007-08-22 EP disclosed
EP-1124824-A1 CHROMENONE AND CHROMANONE DERIVATIVES AS INTEGRIN INHIBITORS MERCK PATENT GmbH (DE) 2001-08-22 EP disclosed
WO-2000026212-A1 CHROMENONE AND CHROMANONE DERIVATIVES AS INTEGRIN INHIBITORS MERCK PATENT GMBH (DE) 2000-05-11 WO disclosed