SCHEMBL8458232

SCHEMBL8458232

Cn1c(CC(=O)O)ccc1C(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.74
PTGS2 P35354 2/20 0.74
CXCL8 P10145 1/20 0.74
AKR1B1 P15121 1/20 0.74
GLO1 Q04760 1/20 0.74
HPGD P15428 2/20 0.55
LMNA P02545 3/20 0.45
ABCC4 O15439 1/20 0.45
GAA P10253 1/20 0.45
TSHR P16473 1/20 0.45
HTT P42858 1/20 0.45
ABCB11 O95342 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
MAPT P10636 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
RAB9A P51151 2/20 0.41
CDC25B P30305 1/20 0.41
ATM Q13315 1/20 0.41
FFAR1 O14842 1/20 0.41
CYP1A2 P05177 1/20 0.41

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
SCHEMBL8726561 0.91 PTGS2 (0.78) PTGS1PTGS2CXCL8AKR1B1GLO1
SCHEMBL2237360 0.91 PTGS2 (0.77) PTGS1PTGS2CXCL8AKR1B1GLO1
SCHEMBL8729555 0.90 PTGS2 (0.72) PTGS1PTGS2CXCL8AKR1B1GLO1
SCHEMBL8729441 0.90 PTGS2 (0.91) PTGS1PTGS2CXCL8AKR1B1GLO1
SCHEMBL8733799 0.89 PTGS2 (0.70) PTGS1PTGS2CXCL8AKR1B1GLO1
SCHEMBL8728872 0.89 PTGS2 (0.70) PTGS1PTGS2CXCL8AKR1B1GLO1
SCHEMBL8728795 0.89 PTGS2 (0.70) PTGS1PTGS2CXCL8AKR1B1GLO1
SCHEMBL8733603 0.87 PTGS2 (0.68) PTGS1PTGS2CXCL8AKR1B1GLO1
SCHEMBL8732168 0.87 PTGS2 (0.67) PTGS1PTGS2CXCL8AKR1B1GLO1
SCHEMBL8726749 0.86 PTGS2 (0.67) PTGS1PTGS2CXCL8AKR1B1GLO1

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 7 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
US-5859042-A ALOPECIA, ACNE, DISEASES OF THE PROSTATE GLANDS ONO PHARMACEUTICAL CO., LTD. (JP) 1999-01-12 US disclosed
EP-0783488-A4 FIVE MEMBERED HETEROCYCLIC COMPOUNDS ONO PHARMACEUTICAL CO (JP) 1998-01-07 EP disclosed
EP-0783488-A1 FIVE MEMBERED HETEROCYCLIC COMPOUNDS ONO PHARMACEUTICAL CO., LTD. (JP) 1997-07-16 EP disclosed
WO-1996010013-A1 FIVE MEMBERED HETEROCYCLIC COMPOUNDS ONO PHARMACEUTICAL CO., LTD. (JP) 1996-04-04 WO disclosed