SCHEMBL23440446

SCHEMBL23440446

COC(=O)Cc1ccc(COc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLH Q9Y253 9/20 0.68
▸ KDM4E B2RXH2 4/20 0.66
▸ POLB P06746 4/20 0.66
▸ RECQL P46063 4/20 0.66
▸ MEN1 O00255 4/20 0.66
▸ KMT2A Q03164 4/20 0.66
▸ APEX1 P27695 3/20 0.66
▸ GAA P10253 3/20 0.66
▸ HSD17B10 Q99714 3/20 0.66
▸ MMP1 P03956 2/20 0.66
▸ MAPT P10636 2/20 0.66
▸ BLM P54132 2/20 0.66
▸ HTT P42858 1/20 0.66
▸ SRC P12931 3/20 0.58
▸ NOX4 Q9NPH5 2/20 0.56
▸ PLG P00747 1/20 0.56
▸ EPHX2 P34913 2/20 0.56
▸ TUBB4A P04350 1/20 0.55
▸ TUBB P07437 1/20 0.55
▸ TUBA3C P0DPH7 1/20 0.55

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
SCHEMBL23440445 0.89 POLH (0.68) POLHKDM4EPOLBRECQLMEN1
SCHEMBL23442318 0.86 POLH (0.70) POLHKDM4EPOLBRECQLMEN1
SCHEMBL23440441 0.85 POLH (0.71) POLHKDM4EPOLBRECQLMEN1
SCHEMBL23440452 0.84 POLH (0.67) POLHKDM4EPOLBRECQLMEN1
SCHEMBL23442026 0.84 EPHX2 (0.65) POLHKDM4EPOLBRECQLMEN1
SCHEMBL23440444 0.83 POLH (0.69) POLHKDM4EPOLBRECQLMEN1
SCHEMBL23440442 0.82 POLH (0.67) POLHKDM4EPOLBRECQLMEN1
SCHEMBL23441997 0.82 POLH (0.67) POLHKDM4EPOLBRECQLMEN1
SCHEMBL23440421 0.82 POLH (0.70) POLHKDM4EPOLBRECQLMEN1
SCHEMBL7202826 0.81 POLH (1.00) POLHKDM4EPOLBRECQLMEN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021104416-A1 COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY BOWEL DISEASE MEDICAL AND PHARMACEUTICAL INDUSTRY TECHNOLOGY AND DEVELOPMENT CENTER (CN) 2021-06-03 — — WO disclosed
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