SCHEMBL7018873

SCHEMBL7018873

CCc1ccccc1Oc1ccc(CO)nc1C=CCC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PAM P19021 1/20 0.38
CXCL8 P10145 2/20 0.36
CHRM1 P11229 1/20 0.35
SLC6A2 P23975 3/20 0.33
SLC6A4 P31645 3/20 0.33
SLC6A3 Q01959 2/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
P2RX3 P56373 1/20 0.33
LTB4R Q15722 3/20 0.33
IDO1 P14902 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL7019214 0.87 LTB4R (0.43) LTB4R
SCHEMBL7019517 0.84 LMNA (0.37) SLC6A2SLC6A4SLC6A3LTB4R
SCHEMBL8862053 0.75 LTB4R (0.53) LTB4R
SCHEMBL8862049 0.75 LTB4R (0.53) LTB4R
SCHEMBL7018870 0.75 LTB4R (0.53) PAMLTB4R
SCHEMBL7021927 0.70 LTB4R (0.66) LTB4R
SCHEMBL9491471 0.70 LTB4R (0.47) LTB4R
SCHEMBL8080183 0.69 LTB4R (0.48) CXCL8LTB4R
SCHEMBL8080568 0.69 LTB4R (0.44) CXCL8LTB4R
SCHEMBL7022628 0.68 LTB4R (0.60) LTB4R

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0649412-B1 PHARMACEUTICAL PYRIDINE COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2003-01-15 EP disclosed
US-5990314-A LEUKOTRIENE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-11-23 US disclosed
US-5643914-A Pharmaceutical pyridine compounds SMITHKLINE BEECHAM CORPORATION (US) 1997-07-01 US disclosed
EP-0733044-A4 COMPOUNDS SMITHKLINE BEECHAM CORP (US) 1997-03-05 EP disclosed
EP-0733044-A1 COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1996-09-25 EP disclosed
EP-0649412-A4 PHARMACEUTICAL PYRIDINE COMPOUNDS. SMITHKLINE BEECHAM CORP (US) 1995-07-05 EP disclosed
WO-1995015950-A1 COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1995-06-15 WO disclosed
EP-0649412-A1 PHARMACEUTICAL PYRIDINE COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1995-04-26 EP disclosed
WO-1994000437-A1 PHARMACEUTICAL PYRIDINE COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1994-01-06 WO disclosed