SCHEMBL8726613

SCHEMBL8726613

Cn1c(CCCCC(=O)O)ccc1C(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCL8 P10145 1/20 0.51
AKR1B1 P15121 1/20 0.51
PTGS1 P23219 1/20 0.51
PTGS2 P35354 1/20 0.51
GLO1 Q04760 1/20 0.51
FFAR1 O14842 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
RAB9A P51151 1/20 0.43
HIF1A Q16665 1/20 0.43
HPGD P15428 2/20 0.43
MAPT P10636 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
PPARA Q07869 1/20 0.41
TBXAS1 P24557 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 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
SCHEMBL8733797 0.96 CXCL8 (0.52) CXCL8AKR1B1PTGS1PTGS2GLO1
SCHEMBL8729395 0.91 CXCL8 (0.55) CXCL8AKR1B1PTGS1PTGS2GLO1
SCHEMBL8458232 0.82 PTGS1 (0.74) CXCL8AKR1B1PTGS1PTGS2GLO1
SCHEMBL8732213 0.78 CXCL8 (0.44) CXCL8AKR1B1PTGS1PTGS2GLO1
SCHEMBL11810204 0.76 CXCL8 (0.56) CXCL8AKR1B1PTGS1PTGS2GLO1
SCHEMBL8605738 0.76 PTGS2 (0.56) CXCL8AKR1B1PTGS1PTGS2GLO1
SCHEMBL8729572 0.74 CDC25B (0.51) CXCL8AKR1B1PTGS1PTGS2GLO1
SCHEMBL8726561 0.74 PTGS2 (0.78) CXCL8AKR1B1PTGS1PTGS2GLO1
SCHEMBL2237360 0.73 PTGS2 (0.77) CXCL8AKR1B1PTGS1PTGS2GLO1
SCHEMBL8729555 0.73 PTGS2 (0.72) 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