SCHEMBL20630792

SCHEMBL20630792

O=C(CCCOc1c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c2c1=O)NC1CCCCC1NC(=O)CCCOc1c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c2c1=O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLH Q9Y253 6/20 0.66
▸ GAA P10253 7/20 0.55
▸ KDM4E B2RXH2 6/20 0.55
▸ POLB P06746 6/20 0.55
▸ MAPT P10636 5/20 0.55
▸ MEN1 O00255 3/20 0.55
▸ KMT2A Q03164 3/20 0.55
▸ MMP1 P03956 2/20 0.55
▸ APEX1 P27695 2/20 0.55
▸ RECQL P46063 2/20 0.55
▸ BLM P54132 2/20 0.55
▸ HSD17B10 Q99714 2/20 0.55
▸ HTT P42858 1/20 0.55
▸ EPHX2 P34913 4/20 0.52
▸ SRC P12931 2/20 0.50
▸ TOP2A P11388 1/20 0.49
▸ AKR1B1 P15121 4/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ LMNA P02545 3/20 0.49
▸ CA12 O43570 2/20 0.49

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
SCHEMBL20630785 1.00 POLH (0.66) POLHGAAKDM4EPOLBMAPT
SCHEMBL20630951 0.87 POLH (0.67) POLHGAAKDM4EPOLBMAPT
SCHEMBL20630788 0.84 POLH (0.70) POLHGAAKDM4EPOLBMAPT
SCHEMBL20630211 0.83 POLH (0.67) POLHGAAKDM4EPOLBMAPT
SCHEMBL27142114 0.83 POLH (0.78) POLHGAAKDM4EPOLBMAPT
SCHEMBL30728553 0.83 POLH (0.78) POLHGAAKDM4EPOLBMAPT
SCHEMBL30728551 0.80 POLH (0.77) POLHGAAKDM4EPOLBMAPT
SCHEMBL27140476 0.80 POLH (0.80) POLHGAAKDM4EPOLBMAPT
SCHEMBL30728552 0.80 POLH (0.80) POLHGAAKDM4EPOLBMAPT
SCHEMBL25304942 0.80 POLH (1.00) POLHGAAKDM4EPOLBMAPT

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