SCHEMBL7417776

SCHEMBL7417776

CCCCCCOCOCC[O]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.48
HTT P42858 2/20 0.46
MEN1 O00255 1/20 0.46
THRB P10828 1/20 0.46
KMT2A Q03164 1/20 0.46
MAPT P10636 1/20 0.46
ALDH1A1 P00352 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
USP2 O75604 1/20 0.41
CA1 P00915 8/20 0.40
CA2 P00918 8/20 0.40
CA9 Q16790 7/20 0.40
LPAR3 Q9UBY5 3/20 0.40
CA12 O43570 3/20 0.40
CA7 P43166 3/20 0.40
CA14 Q9ULX7 3/20 0.40
LPAR1 Q92633 2/20 0.40
LPAR2 Q9HBW0 2/20 0.40
CA3 P07451 2/20 0.40
CA4 P22748 2/20 0.40

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
SCHEMBL4401470 0.90 MEN1 (0.56) CES2HTTMEN1THRBKMT2A
SCHEMBL7421467 0.90 MEN1 (0.56) CES2HTTMEN1THRBKMT2A
SCHEMBL1402432 0.90 MEN1 (0.56) CES2HTTMEN1THRBKMT2A
SCHEMBL2948467 0.90 MEN1 (0.56) CES2HTTMEN1THRBKMT2A
SCHEMBL8045964 0.90 MEN1 (0.56) CES2HTTMEN1THRBKMT2A
SCHEMBL4396375 0.90 TSHR (0.44) CES2HTTMEN1THRBKMT2A
SCHEMBL1110920 0.90 MEN1 (0.56) CES2HTTMEN1THRBKMT2A
SCHEMBL461073 0.90 MEN1 (0.56) CES2HTTMEN1THRBKMT2A
SCHEMBL18044439 0.90 MEN1 (0.56) CES2HTTMEN1THRBKMT2A
SCHEMBL1111117 0.90 MEN1 (0.56) CES2HTTMEN1THRBKMT2A

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