SCHEMBL8728795

SCHEMBL8728795

Cn1c(CC(=O)O)ccc1C(=O)c1ccc(-c2ccc(Br)cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.70
PTGS1 P23219 2/20 0.70
CXCL8 P10145 1/20 0.70
AKR1B1 P15121 1/20 0.70
GLO1 Q04760 1/20 0.70
HPGD P15428 1/20 0.52
ABCB11 O95342 2/20 0.43
LMNA P02545 2/20 0.43
ADORA1 P30542 1/20 0.43
SRD5A2 P31213 1/20 0.43
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CNKSR1 Q969H4 1/20 0.40
HAO1 Q9UJM8 1/20 0.40
LSS P48449 2/20 0.38
POLB P06746 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
RECQL P46063 1/20 0.37

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
SCHEMBL7679417 0.96 PTGS2 (0.76) PTGS2PTGS1CXCL8AKR1B1GLO1
SCHEMBL8458232 0.89 PTGS1 (0.74) PTGS2PTGS1CXCL8AKR1B1GLO1
SCHEMBL8729555 0.87 PTGS2 (0.72) PTGS2PTGS1CXCL8AKR1B1GLO1
SCHEMBL8729441 0.87 PTGS2 (0.91) PTGS2PTGS1CXCL8AKR1B1GLO1
SCHEMBL8733799 0.86 PTGS2 (0.70) PTGS2PTGS1CXCL8AKR1B1GLO1
SCHEMBL8728872 0.86 PTGS2 (0.70) PTGS2PTGS1CXCL8AKR1B1GLO1
SCHEMBL8733603 0.85 PTGS2 (0.68) PTGS2PTGS1CXCL8AKR1B1GLO1
SCHEMBL8732029 0.84 PTGS1 (0.67) PTGS2PTGS1CXCL8AKR1B1GLO1
SCHEMBL8726749 0.84 PTGS2 (0.67) PTGS2PTGS1CXCL8AKR1B1GLO1
SCHEMBL8732399 0.83 PTGS2 (0.65) PTGS2PTGS1CXCL8AKR1B1GLO1

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