SCHEMBL8937686

SCHEMBL8937686

CCOC(=O)C(Cc1ccncc1)(C(=O)OCC)C(O)c1ccncc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
RECQL P46063 1/20 0.38
MMP8 P22894 1/20 0.38
NAMPT P43490 5/20 0.38
CDC7 O00311 4/20 0.37
DBF4 Q9UBU7 4/20 0.37
PPID Q08752 1/20 0.37
CYP19A1 P11511 3/20 0.37
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
PTPRB P23467 1/20 0.36
MAPT P10636 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
FDPS P14324 1/20 0.36

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
SCHEMBL8305982 0.78 NAMPT (0.40) NAMPTCDC7DBF4PPIDCYP19A1
SCHEMBL1677466 0.76 MMP8 (0.57) ALDH1A1RECQLMMP8NAMPTCDC7
SCHEMBL8920728 0.71 ALDH1A1 (0.45) ALDH1A1RECQLMMP8NAMPTCDC7
SCHEMBL8917735 0.71 PTPRB (0.52) ALDH1A1RECQLMMP8NAMPTCDC7
SCHEMBL5314193 0.71 CYP1A2 (0.48) ALDH1A1MMP8NAMPTCDC7DBF4
SCHEMBL5496699 0.70 ALDH1A1 (0.74) ALDH1A1RECQLMMP8NAMPTPPID
SCHEMBL6740786 0.69 ALDH1A1 (0.56) ALDH1A1RECQLMMP8PPIDL3MBTL1
SCHEMBL6154370 0.69 MMP8 (0.51) ALDH1A1MMP8NAMPTCDC7DBF4
SCHEMBL8783322 0.68 NAMPT (0.45) ALDH1A1NAMPTCDC7DBF4PPID
SCHEMBL28260493 0.68 ALDH1A1 (0.55) ALDH1A1RECQLMMP8PPIDGAA

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
EP-0663834-A4 GROWTH HORMONE RELEASING PEPTIDES. SMITHKLINE BEECHAM CORP (US) 1996-01-24 EP disclosed
EP-0663834-A1 GROWTH HORMONE RELEASING PEPTIDES SMITHKLINE BEECHAM CORPORATION (US) 1995-07-26 EP disclosed
WO-1994007519-A1 GROWTH HORMONE RELEASING PEPTIDES SMITHKLINE BEECHAM CORPORATION (US) 1994-04-14 WO disclosed