SCHEMBL8553432

SCHEMBL8553432

CCC(=O)CC(c1ccc(-c2ccc(O)cc2)cc1)c1cccnc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 2/20 0.55
PDE4D Q08499 1/20 0.48
FFAR1 O14842 1/20 0.45
TBXAS1 P24557 1/20 0.43
LMNA P02545 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
ITGB3 P05106 3/20 0.41
ITGAV P06756 3/20 0.41
ADRB1 P08588 1/20 0.40
ADRB3 P13945 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP19A1 P11511 1/20 0.40
KCNA5 P22460 1/20 0.39
ITGA2B P08514 1/20 0.39
HMOX2 P30519 1/20 0.39

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
SCHEMBL8555025 0.85 PDE4D (0.52) CYP17A1PDE4DFFAR1TBXAS1LMNA
SCHEMBL8552254 0.83 SUCNR1 (0.50) CYP17A1PDE4DFFAR1ITGB3ITGAV
SCHEMBL8551198 0.80 CYP3A4 (0.52) PDE4DTBXAS1LMNASMN1; SMN2HPGD
SCHEMBL9519691 0.75 L3MBTL1 (0.50) PDE4DTBXAS1LMNASMN1; SMN2ITGB3
SCHEMBL3413768 0.73 LMNA (0.55) FFAR1LMNAHPGDHMOX2
SCHEMBL15012510 0.73 BACE1 (0.44) LMNASMN1; SMN2
SCHEMBL11990053 0.73 TBXAS1 (0.63) PDE4DFFAR1TBXAS1LMNASMN1; SMN2
SCHEMBL8553222 0.72 PDE4D (0.49) PDE4DFFAR1CYP19A1
SCHEMBL27539172 0.72 SLC6A2 (0.52) CYP17A1PDE4DTBXAS1LMNASMN1; SMN2
SCHEMBL8775880 0.71 LMNA (0.53) PDE4DTBXAS1LMNASMN1; SMN2HPGD

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
EP-0865431-A2 COMPOUNDS Astra Pharmaceuticals Limited (GB) 1998-09-23 EP disclosed
WO-1997020815-A1 COMPOUNDS ASTRA PHARMACEUTICALS LTD. (GB) 1997-06-12 WO disclosed