SCHEMBL8726749

SCHEMBL8726749

CN(C)C(=O)c1ccc(-c2ccc(C(=O)c3ccc(CC(=O)O)n3C)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.67
CXCL8 P10145 1/20 0.67
AKR1B1 P15121 1/20 0.67
PTGS1 P23219 1/20 0.67
GLO1 Q04760 1/20 0.67
HPGD P15428 5/20 0.50
BDKRB2 P30411 1/20 0.40
ABCB11 O95342 1/20 0.40
CSNK2A1 P68400 1/20 0.39
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
ERN1 O75460 2/20 0.37
ALDH1A1 P00352 4/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 2/20 0.36
LRRK2 Q5S007 1/20 0.36
MEN1 O00255 2/20 0.35
TP53 P04637 2/20 0.35
KMT2A Q03164 2/20 0.35

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
SCHEMBL8458232 0.86 PTGS1 (0.74) PTGS2CXCL8AKR1B1PTGS1GLO1
SCHEMBL8729555 0.85 PTGS2 (0.72) PTGS2CXCL8AKR1B1PTGS1GLO1
SCHEMBL8729441 0.85 PTGS2 (0.91) PTGS2CXCL8AKR1B1PTGS1GLO1
SCHEMBL8733799 0.84 PTGS2 (0.70) PTGS2CXCL8AKR1B1PTGS1GLO1
SCHEMBL8728872 0.84 PTGS2 (0.70) PTGS2CXCL8AKR1B1PTGS1GLO1
SCHEMBL8728795 0.84 PTGS2 (0.70) PTGS2CXCL8AKR1B1PTGS1GLO1
SCHEMBL8733603 0.83 PTGS2 (0.68) PTGS2CXCL8AKR1B1PTGS1GLO1
SCHEMBL8728764 0.82 CXCL8 (0.64) PTGS2CXCL8AKR1B1PTGS1GLO1
SCHEMBL8732029 0.82 PTGS1 (0.67) PTGS2CXCL8AKR1B1PTGS1GLO1
SCHEMBL8732399 0.81 PTGS2 (0.65) PTGS2CXCL8AKR1B1PTGS1GLO1

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-0783488-A4 FIVE MEMBERED HETEROCYCLIC COMPOUNDS ONO PHARMACEUTICAL CO (JP) 1998-01-07 EP claimed
EP-0783488-A1 FIVE MEMBERED HETEROCYCLIC COMPOUNDS ONO PHARMACEUTICAL CO., LTD. (JP) 1997-07-16 EP claimed
WO-1996010013-A1 FIVE MEMBERED HETEROCYCLIC COMPOUNDS ONO PHARMACEUTICAL CO., LTD. (JP) 1996-04-04 WO claimed