SCHEMBL20631291

SCHEMBL20631291

NCCc1ccc(OCCCC(=O)NCCOCCOc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)c(OCCCC(=O)NCCOCCOc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLH Q9Y253 5/20 0.53
▸ ACE2 Q9BYF1 2/20 0.46
▸ TOP2A P11388 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ MMP1 P03956 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ APEX1 P27695 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ RECQL P46063 1/20 0.45
▸ BLM P54132 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ EPHX2 P34913 1/20 0.44
▸ CSNK2A2 P19784 1/20 0.44
▸ CSNK2B P67870 1/20 0.44
▸ CSNK2A1 P68400 1/20 0.44
▸ CAMK2B Q13554 1/20 0.44

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
SCHEMBL20630757 0.90 POLH (0.58) POLHACE2TOP2AKDM4EMEN1
SCHEMBL20631318 0.87 POLH (0.67) POLHTOP2AKDM4EMEN1MMP1
SCHEMBL20630211 0.84 POLH (0.67) POLHTOP2AKDM4EMEN1MMP1
SCHEMBL20630798 0.83 POLH (0.70) POLHTOP2AKDM4EMEN1MMP1
SCHEMBL20630738 0.83 POLH (0.70) POLHTOP2AKDM4EMEN1MMP1
SCHEMBL20630788 0.81 POLH (0.70) POLHTOP2AKDM4EMEN1MMP1
SCHEMBL20631336 0.79 POLH (0.64) POLHTOP2AKDM4EMEN1MMP1
SCHEMBL20630949 0.79 POLH (0.68) POLHKDM4EMEN1MMP1POLB
SCHEMBL20630991 0.79 POLH (0.77) POLHKDM4EMEN1MMP1POLB
SCHEMBL20630770 0.78 POLH (0.67) POLHKDM4EMEN1MMP1POLB

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
WO-2019008537-A9 MEDICAL COMPOUNDS VERA SALUS RICERCA S.R.L. (IT) 2020-02-20 — — WO disclosed
WO-2019008537-A1 MEDICAL COMPOUNDS VERA SALUS RICERCA S.R.L. (IT) 2019-01-10 — — WO disclosed
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