SCHEMBL8994912

SCHEMBL8994912

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

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 3/20 0.59
LTB4R2 Q9NPC1 1/20 0.54
PLA2G4B P0C869 1/20 0.51
PRSS1 P07477 4/20 0.50
THRA P10827 1/20 0.49
THRB P10828 1/20 0.49
MAPT P10636 1/20 0.47
TSHR P16473 1/20 0.46
MAOB P27338 2/20 0.45
POLB P06746 1/20 0.44
CASP6 P55212 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
SCHEMBL8995031 0.89 LTB4R (0.56) LTB4RLTB4R2PLA2G4BPRSS1THRA
SCHEMBL8994887 0.89 LTB4R (0.76) LTB4RLTB4R2PLA2G4BPRSS1THRA
SCHEMBL8994986 0.86 HTT (0.53) LTB4RLTB4R2PLA2G4BMAPTPOLB
SCHEMBL8994906 0.86 LTB4R (0.53) LTB4RLTB4R2PLA2G4BPRSS1MAPT
Hydrochloric Acid SCHEMBL8994899 0.85 LTB4R (0.77) LTB4RLTB4R2PLA2G4BPRSS1
SCHEMBL8994910 0.85 LTB4R (0.55) LTB4RLTB4R2PLA2G4BPRSS1THRA
SCHEMBL8995032 0.84 SMPD1 (0.51) LTB4RLTB4R2PLA2G4BPRSS1MAPT
SCHEMBL8995065 0.82 SMPD1 (0.57) LTB4RPLA2G4BPRSS1POLB
SCHEMBL8995067 0.82 LTB4R (0.57) LTB4RLTB4R2PLA2G4BMAPTPOLB
SCHEMBL8995063 0.82 HPGD (0.65) LTB4RPLA2G4BPRSS1MAPTPOLB

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