SCHEMBL8728872

SCHEMBL8728872

Cn1c(CC(=O)O)ccc1C(=O)c1ccc(-c2ccc(F)cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.70
PTGS1 P23219 2/20 0.70
CXCL8 P10145 1/20 0.70
AKR1B1 P15121 1/20 0.70
GLO1 Q04760 1/20 0.70
HPGD P15428 2/20 0.52
BCL2L1 Q07817 1/20 0.44
BAD Q92934 1/20 0.44
ABCB11 O95342 1/20 0.41
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 4/20 0.40
HSD17B10 Q99714 4/20 0.40
ALOX15 P16050 3/20 0.40
MAPK1 P28482 2/20 0.40
USP2 O75604 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPC1 O15118 2/20 0.38
LMNA P02545 2/20 0.38
TP53 P04637 1/20 0.38
RAB9A P51151 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
SCHEMBL7674683 0.96 PTGS2 (0.76) PTGS2PTGS1CXCL8AKR1B1GLO1
SCHEMBL8458232 0.89 PTGS1 (0.74) PTGS2PTGS1CXCL8AKR1B1GLO1
SCHEMBL8729441 0.87 PTGS2 (0.91) PTGS2PTGS1CXCL8AKR1B1GLO1
SCHEMBL8729555 0.87 PTGS2 (0.72) PTGS2PTGS1CXCL8AKR1B1GLO1
SCHEMBL8728795 0.86 PTGS2 (0.70) PTGS2PTGS1CXCL8AKR1B1GLO1
SCHEMBL8733799 0.86 PTGS2 (0.70) PTGS2PTGS1CXCL8AKR1B1GLO1
SCHEMBL8726594 0.85 PTGS2 (0.65) PTGS2PTGS1CXCL8AKR1B1GLO1
SCHEMBL8733603 0.85 PTGS2 (0.68) PTGS2PTGS1CXCL8AKR1B1GLO1
SCHEMBL8728786 0.84 PTGS2 (0.60) PTGS2PTGS1CXCL8AKR1B1GLO1
SCHEMBL8726749 0.84 PTGS2 (0.67) PTGS2PTGS1CXCL8AKR1B1GLO1

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