SCHEMBL8729448

SCHEMBL8729448

Cn1c(CC(=O)O)ccc1C(=O)c1cccc(C[S+]([O-])c2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.50
AKR1B1 P15121 2/20 0.50
CXCL8 P10145 1/20 0.50
PTGS1 P23219 1/20 0.50
GLO1 Q04760 1/20 0.50
HPGD P15428 2/20 0.40
HDAC10 Q969S8 1/20 0.32
ABCB11 O95342 1/20 0.32
CYP19A1 P11511 1/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
HSD17B10 Q99714 1/20 0.32
FOLH1 Q04609 1/20 0.32
BDKRB2 P30411 1/20 0.31
VNN1 O95497 1/20 0.31
CLK1 P49759 1/20 0.31
DYRK1A Q13627 1/20 0.31
DYRK1B Q9Y463 1/20 0.31
GLA P06280 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL8728761 0.80 CXCL8 (0.52) PTGS2AKR1B1CXCL8PTGS1GLO1
SCHEMBL8733716 0.80 PTGS2 (0.68) PTGS2AKR1B1CXCL8PTGS1GLO1
SCHEMBL2237360 0.78 PTGS2 (0.77) PTGS2AKR1B1CXCL8PTGS1GLO1
SCHEMBL8729453 0.77 CXCL8 (0.51) PTGS2AKR1B1CXCL8PTGS1GLO1
SCHEMBL8726561 0.76 PTGS2 (0.78) PTGS2AKR1B1CXCL8PTGS1GLO1
SCHEMBL8728778 0.76 CXCL8 (0.52) PTGS2AKR1B1CXCL8PTGS1GLO1
SCHEMBL7685392 0.75 PTGS2 (0.60) PTGS2AKR1B1CXCL8PTGS1GLO1
SCHEMBL8732264 0.75 CXCL8 (0.56) PTGS2AKR1B1CXCL8PTGS1GLO1
SCHEMBL8731019 0.74 PTGS2 (0.70) PTGS2AKR1B1CXCL8PTGS1GLO1
SCHEMBL8729681 0.74 PTGS2 (0.70) PTGS2AKR1B1CXCL8PTGS1GLO1

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