SCHEMBL8726526

SCHEMBL8726526

Cn1c(CC(=O)O)ccc1C(=O)c1cccc(NC(=O)c2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCL8 P10145 1/20 0.54
AKR1B1 P15121 1/20 0.54
PTGS1 P23219 1/20 0.54
PTGS2 P35354 1/20 0.54
GLO1 Q04760 1/20 0.54
KCNK9 Q9NPC2 4/20 0.51
KCNK3 O14649 3/20 0.51
RAB9A P51151 4/20 0.50
KMT2A Q03164 6/20 0.48
MEN1 O00255 4/20 0.48
MAPT P10636 2/20 0.48
HTT P42858 2/20 0.48
POLB P06746 3/20 0.48
NPC1 O15118 4/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
SIRT1 Q96EB6 1/20 0.47
NR1H4 Q96RI1 1/20 0.46
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NLRP3 Q96P20 1/20 0.46

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
SCHEMBL8732280 0.89 CXCL8 (0.65) CXCL8AKR1B1PTGS1PTGS2GLO1
SCHEMBL8732216 0.88 CXCL8 (0.64) CXCL8AKR1B1PTGS1PTGS2GLO1
SCHEMBL8733716 0.83 PTGS2 (0.68) CXCL8AKR1B1PTGS1PTGS2GLO1
SCHEMBL8728772 0.83 PTGS1 (0.51) CXCL8AKR1B1PTGS1PTGS2GLO1
SCHEMBL2237360 0.82 PTGS2 (0.77) CXCL8AKR1B1PTGS1PTGS2GLO1
SCHEMBL8726561 0.79 PTGS2 (0.78) CXCL8AKR1B1PTGS1PTGS2GLO1
SCHEMBL7685392 0.79 PTGS2 (0.60) CXCL8AKR1B1PTGS1PTGS2GLO1
SCHEMBL8732264 0.78 CXCL8 (0.56) CXCL8AKR1B1PTGS1PTGS2GLO1
SCHEMBL8461618 0.76 PTGS2 (0.64) CXCL8AKR1B1PTGS1PTGS2GLO1
SCHEMBL8728761 0.74 CXCL8 (0.52) CXCL8AKR1B1PTGS1PTGS2GLO1

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