SCHEMBL8009746

SCHEMBL8009746

COC(=O)COc1ccc(C(=O)CN(C)C(=O)CCc2ccncc2)cc1OCC(=O)OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.45
ITGA2B P08514 2/20 0.45
CNR2 P34972 1/20 0.41
CTNNB1 P35222 1/20 0.38
WNT3A P56704 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NAMPT P43490 1/20 0.38
ROCK2 O75116 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
ROCK1 Q13464 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
ACHE P22303 1/20 0.36
NOX1 Q9Y5S8 1/20 0.35

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
SCHEMBL7500221 0.96 ITGB3 (0.46) ITGB3ITGA2BCNR2CTNNB1WNT3A
SCHEMBL7499998 0.90 ITGB3 (0.55) ITGB3ITGA2BCNR2CTNNB1WNT3A
SCHEMBL7363023 0.74 ITGB3 (0.49) ITGB3ITGA2BL3MBTL1ALDH1A1LMNA
SCHEMBL7368949 0.73 ITGB3 (0.50) ITGB3ITGA2BALDH1A1SMN1; SMN2KMT2A
SCHEMBL7358969 0.71 KMT2A (0.67) L3MBTL1CYP3A4CYP2C9ALDH1A1LMNA
SCHEMBL7407172 0.70 KMT2A (0.50) ITGB3ITGA2BL3MBTL1ALDH1A1LMNA
SCHEMBL8012315 0.69 ITGB3 (0.52) ITGB3ITGA2BL3MBTL1ALDH1A1LMNA
SCHEMBL8180044 0.69 ITGB3 (0.51) ITGB3ITGA2BL3MBTL1KMT2AMEN1
SCHEMBL8641278 0.69 NPSR1 (0.36) ALDH1A1LMNASMN1; SMN2KMT2AMEN1
SCHEMBL8633992 0.68 ALDH1A1 (0.55) CYP3A4ALDH1A1KMT2AMEN1

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-6028087-A Platelet aggregation inhibiting compounds SMITHKLINE BEECHAM CORPORATION (US) 2000-02-22 US disclosed