SCHEMBL8994948

SCHEMBL8994948

CCOC(=N)c1ccc(OCCCCCOc2ccc(C(=O)N(C(C)C)C(C)C)cc2)cc1OC

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 3/20 0.59
LTB4R2 Q9NPC1 1/20 0.54
THRA P10827 2/20 0.46
THRB P10828 2/20 0.46
BCL2L1 Q07817 3/20 0.44
LSS P48449 2/20 0.42
HIF1A Q16665 1/20 0.41
PLA2G4B P0C869 1/20 0.39
HTT P42858 1/20 0.37
PTPN1 P18031 1/20 0.37

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
SCHEMBL8995071 0.92 LTB4R (0.56) LTB4RLTB4R2THRATHRBBCL2L1
Hydrochloric Acid SCHEMBL8994980 0.91 LTB4R (0.56) LTB4RLTB4R2THRATHRBBCL2L1
SCHEMBL8994971 0.87 LTB4R (0.71) LTB4RLTB4R2THRATHRBBCL2L1
SCHEMBL8994945 0.85 LTB4R (0.55) LTB4RLTB4R2PLA2G4BHTT
SCHEMBL8994887 0.84 LTB4R (0.76) LTB4RLTB4R2THRATHRBBCL2L1
SCHEMBL8994878 0.83 LTB4R (0.50) LTB4RLTB4R2THRATHRBPLA2G4B
Hydrochloric Acid SCHEMBL8590502 0.83 LTB4R (0.48) LTB4RLTB4R2THRATHRBPLA2G4B
SCHEMBL8591184 0.82 LTB4R (0.48) LTB4RLTB4R2PLA2G4BHTT
Hydrochloric Acid SCHEMBL8994959 0.82 LTB4R (0.73) LTB4RLTB4R2
SCHEMBL8995079 0.82 LTB4R (0.48) LTB4RLTB4R2THRATHRBLSS

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 3 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