SCHEMBL8551344

SCHEMBL8551344

COC(=O)c1cccc(-c2ccc(OC(CC(C)OC(=O)C(=O)OC(C)CC(Oc3ccc(-c4cccc(C(=O)OC)c4)cc3)c3cccnc3)c3cccnc3)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.47
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
NEK1 Q96PY6 1/20 0.43
SLC2A1 P11166 1/20 0.43
ABL1 P00519 1/20 0.42
BCR P11274 1/20 0.42
SRC P12931 1/20 0.42
SUCNR1 Q9BXA5 2/20 0.42
ALDH1A1 P00352 1/20 0.41
NR1H4 Q96RI1 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
PLAU P00749 2/20 0.39
GRM1 Q13255 1/20 0.39
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39
PGGT1B P53609 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
SCHEMBL8554522 0.86 KCNA5 (0.42) SUCNR1ALDH1A1
SCHEMBL8552369 0.84 EPHX1 (0.45) SUCNR1PTAFR
SCHEMBL8549826 0.83 KCNA5 (0.43) CYP11B1CYP11B2NEK1
SCHEMBL8553713 0.83 CYP17A1 (0.42) CYP11B1CYP11B2
SCHEMBL8556196 0.83 PDE4D (0.41) CYP19A1CYP11B1CYP11B2ALDH1A1PLAU
SCHEMBL8555638 0.80 SUCNR1 (0.43) SUCNR1ALDH1A1PTAFR
SCHEMBL8551743 0.80 KMO (0.51) SUCNR1
SCHEMBL8553452 0.76 SUCNR1 (0.41) SUCNR1
SCHEMBL8118689 0.74 KCNA5 (0.48) CYP19A1CYP11B1CYP11B2ABL1BCR
SCHEMBL8552914 0.74 CYP17A1 (0.48) CYP11B1CYP11B2

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