SCHEMBL8726520

SCHEMBL8726520

Cn1c(CC(=O)O)ccc1C(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCL8 P10145 1/20 0.60
AKR1B1 P15121 1/20 0.60
PTGS1 P23219 1/20 0.60
PTGS2 P35354 1/20 0.60
GLO1 Q04760 1/20 0.60
SRD5A2 P31213 3/20 0.55
HPGD P15428 1/20 0.48
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
POLB P06746 1/20 0.44
KDM4E B2RXH2 1/20 0.43
MAPT P10636 2/20 0.41
NPC1 O15118 1/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MYOC Q99972 1/20 0.41
ALOX5 P09917 1/20 0.41
MMP13 P45452 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
SCHEMBL7675749 0.93 CXCL8 (0.68) CXCL8AKR1B1PTGS1PTGS2GLO1
SCHEMBL8729642 0.85 CXCL8 (0.68) CXCL8AKR1B1PTGS1PTGS2GLO1
SCHEMBL9031823 0.82 HPGD (0.51) CXCL8AKR1B1PTGS1PTGS2GLO1
SCHEMBL7678128 0.82 PTGS2 (0.59) CXCL8AKR1B1PTGS1PTGS2GLO1
Water SCHEMBL11373887 0.81 HPGD (0.70) CXCL8AKR1B1PTGS1PTGS2GLO1
SCHEMBL7680742 0.80 HPGD (0.52) CXCL8AKR1B1PTGS1PTGS2GLO1
SCHEMBL7678041 0.80 CXCL8 (0.72) CXCL8AKR1B1PTGS1PTGS2GLO1
SCHEMBL8732329 0.79 CXCL8 (0.56) CXCL8AKR1B1PTGS1PTGS2GLO1
SCHEMBL27370573 0.77 HPGD (0.45) CXCL8AKR1B1PTGS1PTGS2GLO1
SCHEMBL8726546 0.77 PTGS2 (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