SCHEMBL8728772

SCHEMBL8728772

Cn1c(CC(=O)O)ccc1C(=O)c1cccc(NC(c2ccccc2)c2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.51
PTGS2 P35354 4/20 0.51
CXCL8 P10145 2/20 0.51
AKR1B1 P15121 1/20 0.51
GLO1 Q04760 1/20 0.51
SRD5A1 P18405 1/20 0.44
SRD5A2 P31213 1/20 0.44
RCE1 Q9Y256 1/20 0.40
HPGD P15428 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
POLB P06746 1/20 0.35
MAPT P10636 2/20 0.35
CXCR1 P25024 2/20 0.35
CXCR2 P25025 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35

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
SCHEMBL8726526 0.83 CXCL8 (0.54) PTGS1PTGS2CXCL8AKR1B1GLO1
SCHEMBL8733716 0.81 PTGS2 (0.68) PTGS1PTGS2CXCL8AKR1B1GLO1
SCHEMBL2237360 0.79 PTGS2 (0.77) PTGS1PTGS2CXCL8AKR1B1GLO1
SCHEMBL8726581 0.78 CXCL8 (0.61) PTGS1PTGS2CXCL8AKR1B1GLO1
SCHEMBL8726561 0.76 PTGS2 (0.78) PTGS1PTGS2CXCL8AKR1B1GLO1
SCHEMBL7685392 0.76 PTGS2 (0.60) PTGS1PTGS2CXCL8AKR1B1GLO1
SCHEMBL8732264 0.75 CXCL8 (0.56) PTGS1PTGS2CXCL8AKR1B1GLO1
SCHEMBL8732280 0.74 CXCL8 (0.65) PTGS1PTGS2CXCL8AKR1B1GLO1
SCHEMBL8461618 0.73 PTGS2 (0.64) PTGS1PTGS2CXCL8AKR1B1GLO1
SCHEMBL8732216 0.73 CXCL8 (0.64) PTGS1PTGS2CXCL8AKR1B1GLO1

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