SCHEMBL7418440

SCHEMBL7418440

CCCCCOCCOCC[O]

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.56
THRB P10828 1/20 0.56
HTT P42858 1/20 0.56
KMT2A Q03164 1/20 0.56
MAPT P10636 1/20 0.56
TSHR P16473 2/20 0.48
CYP3A4 P08684 1/20 0.48
CES2 O00748 2/20 0.46
CA1 P00915 4/20 0.39
CA2 P00918 4/20 0.39
CA9 Q16790 4/20 0.39
ALDH1A1 P00352 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
USP2 O75604 1/20 0.39
LPAR1 Q92633 2/20 0.38
LPAR3 Q9UBY5 2/20 0.38
LPAR2 Q9HBW0 1/20 0.38
NAAA Q02083 1/20 0.38

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
SCHEMBL10958031 0.97 MEN1 (0.60) MEN1THRBHTTKMT2AMAPT
SCHEMBL1402530 0.97
SCHEMBL1402432 0.95 MEN1 (0.56) MEN1THRBHTTKMT2AMAPT
SCHEMBL1110920 0.95 MEN1 (0.56) MEN1THRBHTTKMT2AMAPT
SCHEMBL7421467 0.95 MEN1 (0.56) MEN1THRBHTTKMT2AMAPT
SCHEMBL1111117 0.95 MEN1 (0.56) MEN1THRBHTTKMT2AMAPT
SCHEMBL8045964 0.95 MEN1 (0.56) MEN1THRBHTTKMT2AMAPT
SCHEMBL461073 0.95 MEN1 (0.56) MEN1THRBHTTKMT2AMAPT
SCHEMBL18044439 0.95 MEN1 (0.56) MEN1THRBHTTKMT2AMAPT
SCHEMBL2948467 0.95 MEN1 (0.56) MEN1THRBHTTKMT2AMAPT

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