SCHEMBL7147124

SCHEMBL7147124

CC#CCCOC(=O)C(CCCCC)C(=O)OCCC#CC

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ZDHHC7 Q9NXF8 1/20 0.38
MAPT P10636 3/20 0.37
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
GPR84 Q9NQS5 3/20 0.34
NAAA Q02083 1/20 0.34
DGKA P23743 1/20 0.34
FFAR1 O14842 1/20 0.34
CA1 P00915 1/20 0.34
ALDH1A1 P00352 1/20 0.33
HMGCR P04035 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL20528165 0.81 TSHR (0.43) ZDHHC7MAPTTDP1MEN1KMT2A
SCHEMBL20528140 0.80 TSHR (0.42) ZDHHC7MAPTGPR84NAAADGKA
SCHEMBL9010353 0.80 ZDHHC7 (0.46) ZDHHC7MAPTTDP1MEN1KMT2A
SCHEMBL28123196 0.80 ALDH1A1 (0.52) ZDHHC7MAPTTDP1MEN1KMT2A
SCHEMBL7998406 0.78 ALDH1A1 (0.50) ZDHHC7MAPTMEN1KMT2AGPR84
SCHEMBL7775835 0.78 NAAA (0.55) ZDHHC7MAPTNAAAALDH1A1
SCHEMBL7781071 0.78 NAAA (0.55) ZDHHC7MAPTNAAAALDH1A1
SCHEMBL22026509 0.78 NAAA (0.55) ZDHHC7MAPTNAAAALDH1A1
SCHEMBL7768452 0.78 NAAA (0.55) ZDHHC7MAPTNAAAALDH1A1
SCHEMBL22026511 0.78 NAAA (0.55) ZDHHC7MAPTNAAAALDH1A1

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-6525197-B1 Producing chemical intermediates for such as epothilone or epothilone analogues synthesis STUDIENGESELLSCHAFT KOHLE MBH (DE) 2003-02-25 US disclosed