SCHEMBL8552076

SCHEMBL8552076

CC(CC(Sc1ccc(-c2cccc(Cl)c2)cc1)c1cccnc1)OC(=O)C(=O)OC(C)CC(Sc1ccc(-c2cccc(Cl)c2)cc1)c1cccnc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.42
ITGAV P06756 10/20 0.42
KCNA5 P22460 3/20 0.41
SUCNR1 Q9BXA5 2/20 0.41
ITGA2B P08514 6/20 0.40
CTSL P07711 1/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
MME P08473 1/20 0.38
ACE P12821 1/20 0.38
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
TRPM8 Q7Z2W7 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
SCHEMBL8553819 0.86 KCNA5 (0.45) ITGB3ITGAVKCNA5SUCNR1ITGA2B
SCHEMBL8554522 0.82 KCNA5 (0.42) KCNA5SUCNR1CTSLCTSSCTSK
SCHEMBL8555195 0.74 KCNA5 (0.45) KCNA5SUCNR1CTSLCTSSCTSK
SCHEMBL8553452 0.72 SUCNR1 (0.41) SUCNR1
SCHEMBL8552369 0.72 EPHX1 (0.45) KCNA5SUCNR1CTSLCTSSCTSK
SCHEMBL8118468 0.69 KCNA5 (0.45) KCNA5SUCNR1TRPM8
SCHEMBL8483450 0.69 MAPT (0.41)
SCHEMBL8477180 0.69 MAPT (0.41)
SCHEMBL8552254 0.68 SUCNR1 (0.50) ITGB3ITGAVKCNA5SUCNR1ITGA2B
SCHEMBL8551344 0.68 CYP19A1 (0.47) SUCNR1

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