SCHEMBL6694887

SCHEMBL6694887

CCCCC(CCCCCCCO)CC(=NO)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.38
LMNA P02545 4/20 0.37
KDM4E B2RXH2 3/20 0.37
USP2 O75604 1/20 0.37
ALOX15 P16050 1/20 0.37
ALOX12 P18054 1/20 0.37
HTT P42858 1/20 0.37
NPC1 O15118 1/20 0.37
HSP90AA1 P07900 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HDAC3 O15379 4/20 0.36
HDAC1 Q13547 4/20 0.36
HDAC2 Q92769 4/20 0.36
HDAC8 Q9BY41 4/20 0.36
HDAC6 Q9UBN7 4/20 0.36
HDAC4 P56524 2/20 0.36
HDAC7 Q8WUI4 2/20 0.36
HDAC10 Q969S8 2/20 0.36
HDAC11 Q96DB2 2/20 0.36

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
SCHEMBL4623104 0.99 ATM (0.39) ATMLMNAKDM4EUSP2ALOX15
SCHEMBL7910549 0.93 ATM (0.43) ATMLMNAKDM4EUSP2ALOX15
SCHEMBL8069165 0.86 MMP2 (0.35) LMNAKDM4EHDAC3HDAC1HDAC2
SCHEMBL207035 0.84 ALDH1A1 (0.38) ATMLMNAKDM4EUSP2ALOX15
SCHEMBL6687170 0.83 CSNK1E (0.39) ATMLMNAKDM4EUSP2ALOX15
SCHEMBL27788516 0.83 CSNK1E (0.39) ATMLMNAKDM4EUSP2ALOX15
SCHEMBL2279359 0.83 CSNK1E (0.39) ATMLMNAKDM4EUSP2ALOX15
SCHEMBL28158239 0.83 ALDH1A1 (0.37) ATMLMNAKDM4EUSP2ALOX15
SCHEMBL6689648 0.82 CSNK1E (0.37) ATMLMNAKDM4EUSP2ALOX15
SCHEMBL15019625 0.81 CES2 (0.39) LMNAKDM4ENPC1RAB9ASMN1; SMN2

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-2004104238-A2 METHOD FOR EXTRACTING COPPER FROM LEACH SOLUTIONS AT ELEVATED TEMPERATURES COGNIS CORPORATION (US) 2004-12-02 WO claimed