SCHEMBL8733716

SCHEMBL8733716

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

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.68
PTGS1 P23219 2/20 0.68
CXCL8 P10145 1/20 0.68
AKR1B1 P15121 1/20 0.68
GLO1 Q04760 1/20 0.68
L3MBTL1 Q9Y468 2/20 0.51
ATM Q13315 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
HPGD P15428 2/20 0.50
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
GLA P06280 1/20 0.44
HDAC10 Q969S8 1/20 0.42
ABCB11 O95342 1/20 0.42
PBRM1 Q86U86 1/20 0.41
MAPT P10636 2/20 0.40
RECQL P46063 2/20 0.40
CXCR1 P25024 1/20 0.40
CXCR2 P25025 1/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL8726561 0.93 PTGS2 (0.78) PTGS2PTGS1CXCL8AKR1B1GLO1
SCHEMBL2237360 0.93 PTGS2 (0.77) PTGS2PTGS1CXCL8AKR1B1GLO1
SCHEMBL7685392 0.86 PTGS2 (0.60) PTGS2PTGS1CXCL8AKR1B1GLO1
SCHEMBL8732264 0.85 CXCL8 (0.56) PTGS2PTGS1CXCL8AKR1B1GLO1
SCHEMBL8458232 0.84 PTGS1 (0.74) PTGS2PTGS1CXCL8AKR1B1GLO1
SCHEMBL8726526 0.83 CXCL8 (0.54) PTGS2PTGS1CXCL8AKR1B1GLO1
SCHEMBL8461618 0.83 PTGS2 (0.64) PTGS2PTGS1CXCL8AKR1B1GLO1
SCHEMBL8729681 0.82 PTGS2 (0.70) PTGS2PTGS1CXCL8AKR1B1GLO1
SCHEMBL8731019 0.82 PTGS2 (0.70) PTGS2PTGS1CXCL8AKR1B1GLO1
SCHEMBL8728761 0.81 CXCL8 (0.52) 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