SCHEMBL6493607

SCHEMBL6493607

O=C(O)CC(Cc1ccccc1O)c1cccnc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.47
ITGAV P06756 3/20 0.47
ITGB1 P05556 1/20 0.47
ITGB6 P18564 1/20 0.47
KCNA5 P22460 4/20 0.47
TBXAS1 P24557 3/20 0.45
KCNH2 Q12809 2/20 0.45
SMN1; SMN2 Q16637 3/20 0.43
AKR1B1 P15121 1/20 0.42
ITGA2B P08514 1/20 0.42
GABBR2 O75899 1/20 0.42
GABBR1 Q9UBS5 1/20 0.42
PDE4D Q08499 1/20 0.42
LMNA P02545 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CFTR P13569 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
GOPC Q9HD26 1/20 0.41

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
SCHEMBL6493595 1.00 ITGB3 (0.47) ITGB3ITGAVITGB1ITGB6KCNA5
SCHEMBL6179138 0.85 GABBR2 (0.56) KCNH2AKR1B1GABBR2GABBR1LMNA
SCHEMBL6179146 0.85 GABBR2 (0.56) KCNH2AKR1B1GABBR2GABBR1LMNA
SCHEMBL5856512 0.82 TBXAS1 (0.53) ITGB3ITGAVITGB1ITGB6TBXAS1
SCHEMBL6493601 0.80 ITGB3 (0.56) ITGB3ITGAVITGB1ITGB6TBXAS1
SCHEMBL6491322 0.80 ITGB3 (0.56) ITGB3ITGAVITGB1ITGB6TBXAS1
SCHEMBL22775935 0.77 TBXAS1 (0.48) ITGB3ITGAVITGB1ITGB6TBXAS1
SCHEMBL11990053 0.75 TBXAS1 (0.63) ITGB3ITGAVKCNA5TBXAS1SMN1; SMN2
SCHEMBL25151973 0.74 ITGB3 (0.46) ITGB3ITGAVITGB1ITGB6KCNA5
SCHEMBL25152268 0.74 ITGB3 (0.46) ITGB3ITGAVITGB1ITGB6KCNA5

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-6881736-B1 Vitronectin receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 2005-04-19 US disclosed