SCHEMBL7895481

SCHEMBL7895481

Cc1[nH]cc(C)c(=O)c1O

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.45
ATAD2 Q6PL18 1/20 0.38
DAO P14920 1/20 0.35
ERN1 O75460 1/20 0.33
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL4541315 0.77 ATAD2 (0.35) NOTUMATAD2DAO
SCHEMBL4540866 0.77 ALDH1A1 (0.35) NOTUMDAOMAPT
SCHEMBL9330869 0.75 ATAD2 (0.46) NOTUMATAD2
SCHEMBL13555561 0.71
SCHEMBL13759885 0.70 KDM4E (0.41) KDM4EUSP2MAPT
SCHEMBL2115438 0.69
SCHEMBL16921631 0.68 NOTUM (0.38) NOTUMATAD2KDM4EMAPT
SCHEMBL2115577 0.68
SCHEMBL7857021 0.67 DAO (0.45) NOTUMATAD2DAOKDM4EMEN1
SCHEMBL15680180 0.66 SRC (0.42) DAOKDM4EMEN1KMT2A

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
US-6177409-B1 2-(ALKYL OR HALOALKYL)-3-HYDROXY PYRAN-4-ONE IS HYDROXYL-PROTECTED, AND REACTED WITH AN AMINO ITOL TO SUBSTITUTED THE INTRACYCLIC OXYGEN OF PYRANONE WITH THE AMINE OF THE AMINO ITOL; IRON(III) CHELATORS FOR BLOOD DISORDERS INSTITUTO BIOCHIMICO PAVESE PHARMA S.P.A. (IT) 2001-01-23 US disclosed