SCHEMBL8726561

SCHEMBL8726561

Cn1c(CC(=O)O)ccc1C(=O)c1ccc(C(=O)c2ccccc2)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.78
AKR1B1 P15121 2/20 0.78
CXCL8 P10145 1/20 0.78
PTGS1 P23219 1/20 0.78
GLO1 Q04760 1/20 0.78
HPGD P15428 4/20 0.57
HDAC10 Q969S8 1/20 0.45
ABCB11 O95342 1/20 0.45
ALDH1A1 P00352 5/20 0.44
GLA P06280 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SRD5A2 P31213 2/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
ALOX12 P18054 1/20 0.43
RECQL P46063 1/20 0.43
KMT2A Q03164 1/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL2237360 0.97 PTGS2 (0.77) PTGS2AKR1B1CXCL8PTGS1GLO1
SCHEMBL8733716 0.93 PTGS2 (0.68) PTGS2AKR1B1CXCL8PTGS1GLO1
SCHEMBL8458232 0.91 PTGS1 (0.74) PTGS2AKR1B1CXCL8PTGS1GLO1
SCHEMBL8731019 0.88 PTGS2 (0.70) PTGS2AKR1B1CXCL8PTGS1GLO1
SCHEMBL8729681 0.88 PTGS2 (0.70) PTGS2AKR1B1CXCL8PTGS1GLO1
Tolmetin SCHEMBL11325188 0.88 PTGS2 (1.00) PTGS2AKR1B1CXCL8PTGS1GLO1
Tolmetin SCHEMBL3150 0.88 PTGS2 (1.00) PTGS2AKR1B1CXCL8PTGS1GLO1
SCHEMBL8729642 0.87 CXCL8 (0.68) PTGS2AKR1B1CXCL8PTGS1GLO1
Tolmetin SCHEMBL28221483 0.87 PTGS2 (0.86) PTGS2AKR1B1CXCL8PTGS1GLO1
SCHEMBL8733265 0.87 PTGS2 (0.68) 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