SCHEMBL2028823

SCHEMBL2028823

CC(C)=CCCC(O)C(C)C

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 4/20 0.52
ALDH1A1 P00352 2/20 0.52
TSHR P16473 1/20 0.47
KDM4E B2RXH2 1/20 0.37
KMT2A Q03164 2/20 0.37
SRC P12931 1/20 0.37
USP2 O75604 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MEN1 O00255 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL214608 0.79
SCHEMBL195482 0.79
SCHEMBL9175546 0.79
SCHEMBL14515125 0.76 ALOX15 (0.59) ALOX15ALDH1A1TSHRKDM4ESRC
SCHEMBL7635671 0.76 ALDH1A1 (0.51) ALOX15ALDH1A1TSHRKDM4EUSP2
SCHEMBL6480491 0.76 ALDH1A1 (0.51) ALOX15ALDH1A1TSHRKDM4EUSP2
SCHEMBL108373 0.76
SCHEMBL11868741 0.75 ALOX15 (0.52) ALOX15ALDH1A1TSHRKDM4EKMT2A
SCHEMBL11465412 0.75
SCHEMBL12027362 0.75 ALOX15 (0.47) ALOX15ALDH1A1TSHRKDM4EKMT2A

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-2011076691-A1 METHOD FOR PRODUCING AN ALKENE COMPRISING THE STEP OF CONVERTING AN ALCOHOL BY AN ENZYMATIC DEHYDRATION STEP MARLIERE PHILIPPE (FR) 2011-06-30 WO disclosed