SCHEMBL8728778

SCHEMBL8728778

Cn1c(CC(=O)O)ccc1C(=O)c1cccc(N(Cc2ccccc2)Cc2ccccc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCL8 P10145 1/20 0.52
AKR1B1 P15121 1/20 0.52
PTGS1 P23219 1/20 0.52
PTGS2 P35354 1/20 0.52
GLO1 Q04760 1/20 0.52
PTPN1 P18031 2/20 0.49
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
KMT2A Q03164 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NR3C1 P04150 2/20 0.39
HPGD P15428 2/20 0.39
MEN1 O00255 1/20 0.39
GRM2 Q14416 1/20 0.37
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
TMEM97 Q5BJF2 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL8733716 0.81 PTGS2 (0.68) CXCL8AKR1B1PTGS1PTGS2GLO1
SCHEMBL2237360 0.80 PTGS2 (0.77) CXCL8AKR1B1PTGS1PTGS2GLO1
SCHEMBL8726746 0.80 PTGS2 (0.65) CXCL8AKR1B1PTGS1PTGS2GLO1
SCHEMBL8726561 0.77 PTGS2 (0.78) CXCL8AKR1B1PTGS1PTGS2GLO1
SCHEMBL8728761 0.77 CXCL8 (0.52) CXCL8AKR1B1PTGS1PTGS2GLO1
SCHEMBL7685392 0.77 PTGS2 (0.60) CXCL8AKR1B1PTGS1PTGS2GLO1
SCHEMBL8732121 0.77 CXCL8 (0.61) CXCL8AKR1B1PTGS1PTGS2GLO1
SCHEMBL8729453 0.76 CXCL8 (0.51) CXCL8AKR1B1PTGS1PTGS2GLO1
SCHEMBL8732264 0.76 CXCL8 (0.56) CXCL8AKR1B1PTGS1PTGS2GLO1
SCHEMBL8729448 0.76 PTGS2 (0.50) 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