SCHEMBL8994986

SCHEMBL8994986

CCOC(=N)c1ccc(OCCCCCOc2ccc(C(=O)N(C)Cc3ccccc3)cc2OC)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.53
LTB4R Q15722 4/20 0.52
LTB4R2 Q9NPC1 3/20 0.52
PLA2G4B P0C869 1/20 0.47
BCHE P06276 2/20 0.46
MAPT P10636 1/20 0.46
ROCK2 O75116 1/20 0.46
ROCK1 Q13464 1/20 0.46
POLB P06746 1/20 0.45
CASP6 P55212 1/20 0.45
ALDH1A1 P00352 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ACHE P22303 1/20 0.44

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
SCHEMBL8995067 0.89 LTB4R (0.57) LTB4RLTB4R2PLA2G4BBCHEMAPT
Hydrochloric Acid SCHEMBL8994844 0.87 LTB4R (0.67) HTTLTB4RLTB4R2BCHEMAPT
SCHEMBL8994912 0.86 LTB4R (0.59) LTB4RLTB4R2PLA2G4BMAPTPOLB
SCHEMBL8994951 0.83 DRD2 (0.56) PLA2G4BMAPTROCK2ALDH1A1
SCHEMBL8995031 0.82 LTB4R (0.56) LTB4RLTB4R2PLA2G4BBCHEMAPT
SCHEMBL8994887 0.82 LTB4R (0.76) LTB4RLTB4R2PLA2G4BMAPTPOLB
Hydrochloric Acid SCHEMBL8994845 0.80 HTT (0.51) HTTLTB4RLTB4R2PLA2G4BBCHE
SCHEMBL8994906 0.80 LTB4R (0.53) LTB4RLTB4R2PLA2G4BMAPTMEN1
SCHEMBL8994910 0.78 LTB4R (0.55) HTTLTB4RLTB4R2PLA2G4BBCHE
SCHEMBL8995032 0.78 SMPD1 (0.51) LTB4RLTB4R2PLA2G4BMAPTMEN1

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