SCHEMBL7417772

SCHEMBL7417772

CCCCCCOCOC(C)[O]

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.44
HTT P42858 2/20 0.42
MEN1 O00255 1/20 0.42
THRB P10828 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPT P10636 1/20 0.42
USP2 O75604 1/20 0.41
LPAR1 Q92633 5/20 0.41
LPAR3 Q9UBY5 5/20 0.41
SPHK1 Q9NYA1 1/20 0.41
DNM1 Q05193 1/20 0.39
LPAR5 Q9H1C0 1/20 0.39
LPAR2 Q9HBW0 1/20 0.38
PLA2G2C Q5R387 1/20 0.38
ALDH1A1 P00352 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL4396373 0.91 TSHR (0.39) CES2HTTMEN1THRBKMT2A
SCHEMBL24083149 0.83 HTT (0.45) CES2HTTMEN1THRBKMT2A
SCHEMBL15159038 0.83 HTT (0.45) CES2HTTMEN1THRBKMT2A
SCHEMBL4393747 0.82
SCHEMBL4398071 0.82 DNM1 (0.50) LPAR1LPAR3DNM1LPAR2
SCHEMBL1402431 0.82 DNM1 (0.50) LPAR1LPAR3DNM1LPAR2
SCHEMBL8896345 0.82 DNM1 (0.50) LPAR1LPAR3DNM1LPAR2
SCHEMBL3503799 0.82 DNM1 (0.50) LPAR1LPAR3DNM1LPAR2
SCHEMBL8045961 0.82 DNM1 (0.50) LPAR1LPAR3DNM1LPAR2
SCHEMBL4401469 0.82 DNM1 (0.50) LPAR1LPAR3DNM1LPAR2

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