SCHEMBL20630994

SCHEMBL20630994

O=C(NCCOCCOc1c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c2c1=O)c1cc(C(=O)NCCOCCOc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)cc(-c2cc(C(=O)NCCOCCOc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)cc(C(O)NCCOCCOc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)c2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLH Q9Y253 6/20 0.55
▸ MEN1 O00255 3/20 0.47
▸ POLB P06746 3/20 0.47
▸ GAA P10253 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ MMP1 P03956 2/20 0.47
▸ MAPT P10636 2/20 0.47
▸ APEX1 P27695 2/20 0.47
▸ RECQL P46063 2/20 0.47
▸ BLM P54132 2/20 0.47
▸ HSD17B10 Q99714 2/20 0.47
▸ HTT P42858 1/20 0.47
▸ EPHX2 P34913 2/20 0.46
▸ SRC P12931 9/20 0.45
▸ AKR1B1 P15121 2/20 0.42
▸ BCL9 O00512 1/20 0.42
▸ ABCC4 O15439 1/20 0.42
▸ MGAM O43451 1/20 0.42
▸ CA12 O43570 1/20 0.42

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
SCHEMBL20630205 0.99 POLH (0.56) POLHMEN1POLBGAAKMT2A
SCHEMBL20630208 0.92 POLH (0.65) POLHMEN1POLBGAAKMT2A
SCHEMBL20630770 0.90 POLH (0.67) POLHMEN1POLBGAAKMT2A
SCHEMBL20630799 0.86 POLH (0.66) POLHMEN1POLBGAAKMT2A
SCHEMBL20631332 0.83 POLH (0.62) POLHMEN1POLBGAAKMT2A
SCHEMBL20631304 0.82 POLH (0.62) POLHMEN1POLBGAAKMT2A
SCHEMBL20630750 0.81 POLH (0.61) POLHMEN1POLBGAAKMT2A
SCHEMBL20630949 0.81 POLH (0.68) POLHMEN1POLBGAAKMT2A
SCHEMBL20631318 0.79 POLH (0.67) POLHMEN1POLBGAAKMT2A
SCHEMBL24497194 0.78 POLH (0.72) POLHMEN1POLBGAAKMT2A

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
Send feedback