SCHEMBL9308843

SCHEMBL9308843

CC(C)(C)NCCCOc1ccc(CC(C(=O)O)N(C=O)OC(C)(C)C)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.58
ITGA2B P08514 7/20 0.58
POLB P06746 2/20 0.46
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 3/20 0.38
GAA P10253 2/20 0.38
MITF O75030 1/20 0.38
PPARG P37231 3/20 0.37
PPARD Q03181 2/20 0.37
PPARA Q07869 2/20 0.37
KMT2A Q03164 2/20 0.36
ITGB1 P05556 1/20 0.36
ITGAV P06756 1/20 0.36
ITGB5 P18084 1/20 0.36
ITGB6 P18564 1/20 0.36
LTA4H P09960 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 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
SCHEMBL7292750 0.87 ITGB3 (0.42) ITGB3ITGA2BPOLBALDH1A1PPARG
SCHEMBL7393691 0.86 ITGB3 (0.60) ITGB3ITGA2BPOLBKDM4EALDH1A1
SCHEMBL7424094 0.86 ITGB3 (0.41) ITGB3ITGA2BPPARGPPARDPPARA
SCHEMBL22804109 0.78 SLC7A5 (0.42)
SCHEMBL28233244 0.78 CYP1A2 (0.41) ALDH1A1PPARGPPARA
SCHEMBL7298868 0.78 ITGB3 (0.37) ITGB3ITGA2BPOLB
SCHEMBL7106924 0.77 ITGB1 (0.34) ITGB3PPARAITGB1ITGAV
SCHEMBL9307411 0.77 ITGB3 (0.50) ITGB3ITGA2BKDM4EALDH1A1GAA
SCHEMBL7294444 0.76 ITGB3 (0.49) ITGB3ITGA2BKDM4EGAAMITF
SCHEMBL7299550 0.76 PPARA (0.40) PPARGPPARA

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
US-5294616-A Anticoagulants, inhibition of fibrinogen binding to blood platelets MERCK & CO., INC. (US) 1994-03-15 US claimed
US-5294616-A Anticoagulants, inhibition of fibrinogen binding to blood platelets MERCK & CO., INC. (US) 1994-03-15 US disclosed