SCHEMBL5820540

SCHEMBL5820540

COc1cc(O)c2c(c1O)C(=O)C(O)=CC2=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 2/20 0.39
▸ MEN1 O00255 6/20 0.38
▸ MAPT P10636 6/20 0.38
▸ KMT2A Q03164 6/20 0.38
▸ KDM4E B2RXH2 5/20 0.38
▸ USP2 O75604 2/20 0.38
▸ HPGD P15428 3/20 0.37
▸ RECQL P46063 3/20 0.37
▸ LMNA P02545 2/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ CYP2B6 P20813 2/20 0.37
▸ MCL1 Q07820 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ POLB P06746 2/20 0.37
▸ HTT P42858 2/20 0.37
▸ BLM P54132 2/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ XBP1 P17861 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
SCHEMBL5821593 0.93 PTGS2 (0.39) PTGS2MEN1MAPTKMT2AKDM4E
SCHEMBL19303777 0.85 EGFR (0.38) MEN1MAPTKMT2AKDM4EUSP2
SCHEMBL5820321 0.78 KDM4E (0.50) MEN1MAPTKMT2AKDM4EUSP2
SCHEMBL3132323 0.78 CYP3A4 (0.39) PTGS2LMNACYP3A4CYP2B6HTT
SCHEMBL19303802 0.77 ESR1 (0.34) MEN1MAPTKMT2AKDM4EUSP2
SCHEMBL5820817 0.75 PIM1 (0.41) MEN1MAPTKMT2AKDM4EUSP2
SCHEMBL30002739 0.75 MAPT (0.52) MEN1MAPTKMT2AKDM4EUSP2
SCHEMBL9176608 0.75 MAPT (0.52) MEN1MAPTKMT2AKDM4EUSP2
SCHEMBL31181468 0.75 PKM (0.36) PTGS2MEN1MAPTKMT2ALMNA
SCHEMBL10494234 0.73 MAPT (0.41) MAPTKDM4EHPGDLMNACYP3A4

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-2006107827-A1 SKIN BONDING PROCESS CREIGHTON UNIVERSITY (US) 2006-10-12 — — WO disclosed
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