SCHEMBL8994906

SCHEMBL8994906

CCOC(=N)c1ccc(OCCCCCOc2ccc(C(=O)NC)cc2OC)cc1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 2/20 0.53
PLA2G4B P0C869 1/20 0.52
PRSS1 P07477 3/20 0.51
SMPD1 P17405 4/20 0.51
MAPT P10636 1/20 0.48
PLK1 P53350 2/20 0.48
LTB4R2 Q9NPC1 1/20 0.48
TSHR P16473 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL8995032 0.92 SMPD1 (0.51) LTB4RPLA2G4BPRSS1SMPD1MAPT
SCHEMBL8995065 0.90 SMPD1 (0.57) LTB4RPLA2G4BPRSS1SMPD1MEN1
SCHEMBL8994951 0.86 DRD2 (0.56) PLA2G4BMAPT
SCHEMBL8994912 0.86 LTB4R (0.59) LTB4RPLA2G4BPRSS1MAPTLTB4R2
Hydrochloric Acid SCHEMBL8994938 0.86 PRSS1 (0.67) LTB4RPRSS1SMPD1LTB4R2
SCHEMBL8995031 0.83 LTB4R (0.56) LTB4RPLA2G4BPRSS1SMPD1MAPT
SCHEMBL8994887 0.83 LTB4R (0.76) LTB4RPLA2G4BPRSS1MAPTLTB4R2
SCHEMBL8995063 0.83 HPGD (0.65) LTB4RPLA2G4BPRSS1MAPTMEN1
SCHEMBL11237246 0.82 SMPD1 (0.72) PLA2G4BPRSS1SMPD1MAPT
SCHEMBL8994972 0.82 HPGD (0.64) LTB4RPLA2G4BMEN1KMT2A

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
US-5488160-A LEUKOTRIENE B4 RECEPTOR ANTAGONIST AS ANTIINFLAMMATORY AGENTS CIBA-GEIGY CORPORATION (US) 1996-01-30 US disclosed
US-5451700-A Leukotriene inhibitors CIBA-GEIGY CORPORATION (US) 1995-09-19 US disclosed
EP-0518819-B1 Amidino compounds, their manufacture and use as medicament CIBA GEIGY AG (CH) 1995-08-02 EP disclosed
EP-0518819-A2 Amidino compounds, their manufacture and use as medicament CIBA-GEIGY AG (CH) 1992-12-16 EP disclosed