SCHEMBL8729642

SCHEMBL8729642

Cn1c(CC(=O)O)ccc1C(=O)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CXCL8 P10145 1/20 0.68
AKR1B1 P15121 1/20 0.68
PTGS1 P23219 1/20 0.68
PTGS2 P35354 1/20 0.68
GLO1 Q04760 1/20 0.68
SRD5A2 P31213 8/20 0.57
HPGD P15428 1/20 0.51
PARP10 Q53GL7 1/20 0.43
ERCC5 P28715 1/20 0.41
FEN1 P39748 1/20 0.41
GALR3 O60755 1/20 0.41
GAA P10253 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
SCHEMBL8733815 0.90 CXCL8 (0.65) CXCL8AKR1B1PTGS1PTGS2GLO1
SCHEMBL8732264 0.88 CXCL8 (0.56) CXCL8AKR1B1PTGS1PTGS2GLO1
SCHEMBL8726561 0.87 PTGS2 (0.78) CXCL8AKR1B1PTGS1PTGS2GLO1
SCHEMBL2237360 0.87 PTGS2 (0.77) CXCL8AKR1B1PTGS1PTGS2GLO1
SCHEMBL7678041 0.86 CXCL8 (0.72) CXCL8AKR1B1PTGS1PTGS2GLO1
SCHEMBL8726520 0.85 CXCL8 (0.60) CXCL8AKR1B1PTGS1PTGS2GLO1
SCHEMBL8726505 0.85 CXCL8 (0.62) CXCL8AKR1B1PTGS1PTGS2GLO1
SCHEMBL8458232 0.85 PTGS1 (0.74) CXCL8AKR1B1PTGS1PTGS2GLO1
SCHEMBL8726546 0.83 PTGS2 (0.67) CXCL8AKR1B1PTGS1PTGS2GLO1
SCHEMBL8732029 0.83 PTGS1 (0.67) 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