SCHEMBL8423716

SCHEMBL8423716

COc1cc(C(=O)O)ccc1C(C(N)=O)c1c[nH]c2ccc(NC(=O)OC3CCCC3)cc12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 8/20 0.51
CYSLTR1 Q9Y271 8/20 0.51
PLA2G4A P47712 3/20 0.49
EPHX2 P34913 2/20 0.41
PPARG P37231 2/20 0.41
PDE4D Q08499 2/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
MEN1 O00255 1/20 0.38
PTGES O14684 1/20 0.38
XPO1 O14980 1/20 0.38
SLC22A2 O15244 1/20 0.38
ABCC4 O15439 1/20 0.38
NR1I2 O75469 1/20 0.38
ABCB11 O95342 1/20 0.38
EGFR P00533 1/20 0.38
NR3C1 P04150 1/20 0.38
PGR P06401 1/20 0.38
POLB P06746 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
SCHEMBL8427471 0.90 CYSLTR2 (0.50) CYSLTR2CYSLTR1PLA2G4AEPHX2PPARG
SCHEMBL4294287 0.89 CYSLTR2 (0.53) CYSLTR2CYSLTR1PLA2G4AEPHX2PPARG
SCHEMBL8425181 0.89 CYSLTR2 (0.49) CYSLTR2CYSLTR1PLA2G4AEPHX2PPARG
SCHEMBL8423173 0.87 PLA2G4A (0.52) CYSLTR2CYSLTR1PLA2G4AEPHX2PPARG
SCHEMBL8427095 0.87 CYSLTR2 (0.51) CYSLTR2CYSLTR1PLA2G4AEPHX2PPARG
SCHEMBL8951259 0.86 CYSLTR2 (0.54) CYSLTR2CYSLTR1PLA2G4AEPHX2PPARG
SCHEMBL8166125 0.84 PLA2G4A (0.59) CYSLTR2CYSLTR1PLA2G4AEPHX2PPARG
SCHEMBL8951532 0.84 CYSLTR2 (0.51) CYSLTR2CYSLTR1PLA2G4AEPHX2PPARG
SCHEMBL3683219 0.82 CYSLTR1 (0.51) CYSLTR2CYSLTR1PLA2G4AEPHX2PPARG
SCHEMBL8951325 0.81 CYSLTR2 (0.51) CYSLTR2CYSLTR1PLA2G4AEPHX2PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0863873-B1 INDOLE CARBAMATES AS LEUKOTRIENE ANTAGONISTS PFIZER (US) 1999-11-10 EP disclosed
US-5965745-A ASTHMA; ANTIARTHRITIC,-SHOCK AGENTS; BRONCHITIS; RESPIRATORY SYSTEM DISEASES, E.G. CHRONIC OBSTRUCTIVE AIRWAYS DISEASES; PSORIASIS; ALLERGIC RHINITIS; ATOPIC DERMATITIS PFIZER INC (US) 1999-10-12 US disclosed
EP-0863873-A1 INDOLE CARBAMATES AS LEUKOTRIENE ANTAGONISTS PFIZER INC. (US) 1998-09-16 EP disclosed
WO-1997013751-A1 INDOLE CARBAMATES AS LEUKOTRIENE ANTAGONISTS PFIZER INC. (US) 1997-04-17 WO disclosed