SCHEMBL8733588

SCHEMBL8733588

Cn1c(CC(=O)O)ccc1C(=O)c1ccc(CSc2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCL8 P10145 1/20 0.62
AKR1B1 P15121 1/20 0.62
PTGS1 P23219 1/20 0.62
PTGS2 P35354 1/20 0.62
GLO1 Q04760 1/20 0.62
HPGD P15428 4/20 0.47
LMNA P02545 5/20 0.46
ALDH1A1 P00352 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
KDM4E B2RXH2 4/20 0.43
HTT P42858 4/20 0.40
PKM P14618 1/20 0.40
MCL1 Q07820 1/20 0.40
MAPT P10636 4/20 0.40
NPSR1 Q6W5P4 2/20 0.39
HAO1 Q9UJM8 1/20 0.38

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
SCHEMBL8728761 0.87 CXCL8 (0.52) CXCL8AKR1B1PTGS1PTGS2GLO1
SCHEMBL8731019 0.83 PTGS2 (0.70) CXCL8AKR1B1PTGS1PTGS2GLO1
SCHEMBL8729681 0.83 PTGS2 (0.70) CXCL8AKR1B1PTGS1PTGS2GLO1
SCHEMBL8726561 0.83 PTGS2 (0.78) CXCL8AKR1B1PTGS1PTGS2GLO1
SCHEMBL2237360 0.83 PTGS2 (0.77) CXCL8AKR1B1PTGS1PTGS2GLO1
Water SCHEMBL9275860 0.82 PTGS2 (0.72) CXCL8AKR1B1PTGS1PTGS2GLO1
SCHEMBL8458232 0.80 PTGS1 (0.74) CXCL8AKR1B1PTGS1PTGS2GLO1
SCHEMBL8726746 0.80 PTGS2 (0.65) CXCL8AKR1B1PTGS1PTGS2GLO1
SCHEMBL8733603 0.80 PTGS2 (0.68) CXCL8AKR1B1PTGS1PTGS2GLO1
Tolmetin SCHEMBL11325188 0.77 PTGS2 (1.00) 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