SCHEMBL7418213

SCHEMBL7418213

CCCCCCOCOC(C)OC([O])CCCCC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.36
ADH1B P00325 1/20 0.35
ADH1C P00326 1/20 0.35
ADH1A P07327 1/20 0.35
ADH4 P08319 1/20 0.35
ADH7 P40394 1/20 0.35
LPAR1 Q92633 2/20 0.35
LPAR3 Q9UBY5 2/20 0.35
PLA2G2C Q5R387 1/20 0.35
HTT P42858 2/20 0.34
MEN1 O00255 1/20 0.34
THRB P10828 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPT P10636 1/20 0.34
USP2 O75604 1/20 0.34
SPHK1 Q9NYA1 1/20 0.34
ZDHHC7 Q9NXF8 1/20 0.33
CES1 P23141 1/20 0.33
PLA2G2A P14555 1/20 0.33
TLR2 O60603 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
SCHEMBL7335498 0.81 LMNA (0.41) ADH1BADH1CADH1AADH4ADH7
SCHEMBL7417772 0.77 CES2 (0.44) CES2LPAR1LPAR3PLA2G2CHTT
SCHEMBL4392275 0.75 CYP3A4 (0.31)
SCHEMBL11259005 0.75 PRKD3 (0.42) CES2LPAR1LPAR3HTTMEN1
SCHEMBL11108585 0.74 DNM1 (0.48) LPAR1LPAR3ZDHHC7
SCHEMBL15522266 0.74 DNM1 (0.48) LPAR1LPAR3ZDHHC7
SCHEMBL10335706 0.74 DNM1 (0.48) LPAR1LPAR3ZDHHC7
SCHEMBL4299442 0.74 DNM1 (0.48) LPAR1LPAR3ZDHHC7
SCHEMBL7339574 0.74 DNM1 (0.48) LPAR1LPAR3ZDHHC7
SCHEMBL2553275 0.74 DNM1 (0.48) LPAR1LPAR3ZDHHC7

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5594006-A SUCH AS COLLEGENASE, STROMELYSIN; ANTICANCER AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-01-14 US disclosed
EP-0641323-A1 CARBOSTYRIL DERIVATIVES AS MATRIX METALLOPROTEINASES INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-03-08 EP disclosed
WO-1994021612-A1 CARBOSTYRIL DERIVATIVES AS MATRIX METALLOPROTEINASES INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-09-29 WO disclosed