SCHEMBL8728786

SCHEMBL8728786

Cn1c(CC(=O)O)ccc1C(=O)c1ccc(-c2ccc(F)c(Cl)c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.60
CXCL8 P10145 1/20 0.60
AKR1B1 P15121 1/20 0.60
PTGS1 P23219 1/20 0.60
GLO1 Q04760 1/20 0.60
HPGD P15428 1/20 0.48
ABCB11 O95342 1/20 0.46
HSD17B1 P14061 1/20 0.43
HSD17B2 P37059 1/20 0.43
ICMT O60725 5/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MARS1 P56192 1/20 0.36
GRIN2B Q13224 1/20 0.36
RPA1 P27694 1/20 0.36
FFAR1 O14842 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
SCHEMBL8733799 0.86 PTGS2 (0.70) PTGS2CXCL8AKR1B1PTGS1GLO1
SCHEMBL8732399 0.85 PTGS2 (0.65) PTGS2CXCL8AKR1B1PTGS1GLO1
SCHEMBL8728872 0.84 PTGS2 (0.70) PTGS2CXCL8AKR1B1PTGS1GLO1
SCHEMBL2239972 0.82 PTGS2 (0.76) PTGS2CXCL8AKR1B1PTGS1GLO1
SCHEMBL8733730 0.81 PTGS2 (0.60) PTGS2CXCL8AKR1B1PTGS1GLO1
SCHEMBL8458232 0.81 PTGS1 (0.74) PTGS2CXCL8AKR1B1PTGS1GLO1
SCHEMBL8729555 0.80 PTGS2 (0.72) PTGS2CXCL8AKR1B1PTGS1GLO1
SCHEMBL8729441 0.80 PTGS2 (0.91) PTGS2CXCL8AKR1B1PTGS1GLO1
SCHEMBL7674683 0.80 PTGS2 (0.76) PTGS2CXCL8AKR1B1PTGS1GLO1
SCHEMBL8728795 0.79 PTGS2 (0.70) 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