SCHEMBL8554522

SCHEMBL8554522

CC(CC(Oc1ccc(-c2cccc(Cl)c2)cc1)c1cccnc1)OC(=O)C(=O)OC(C)CC(Oc1ccc(-c2cccc(Cl)c2)cc1)c1cccnc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 4/20 0.42
SUCNR1 Q9BXA5 2/20 0.41
MME P08473 1/20 0.38
ACE P12821 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
FFAR1 O14842 2/20 0.38
NPY5R Q15761 2/20 0.38
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
USP2 O75604 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
ALOX15 P16050 1/20 0.37

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
SCHEMBL8552369 0.87 EPHX1 (0.45) KCNA5SUCNR1FFAR1CTSLCTSS
SCHEMBL8118468 0.87 KCNA5 (0.45) KCNA5SUCNR1SLC6A2SLC6A4SLC6A3
SCHEMBL8551344 0.86 CYP19A1 (0.47) SUCNR1ALDH1A1
SCHEMBL8549826 0.86 KCNA5 (0.43) KCNA5FFAR1PSEN1PSEN2APH1B
SCHEMBL8556196 0.85 PDE4D (0.41) ALDH1A1LMNAMAPT
SCHEMBL8553713 0.83 CYP17A1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8553452 0.82 SUCNR1 (0.41) SUCNR1USP2NPSR1LMNAMAPT
SCHEMBL8552076 0.82 ITGB3 (0.42) KCNA5SUCNR1MMEACEPSEN1
SCHEMBL8550686 0.78 KCNA5 (0.43) KCNA5SUCNR1SLC6A4
SCHEMBL8555638 0.76 SUCNR1 (0.43) KCNA5SUCNR1FFAR1ALDH1A1LMNA

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