SCHEMBL8995034

SCHEMBL8995034

COc1cc(C(=O)N(C(C)C)C(C)C)ccc1OCCCCCOc1ccc(CN=NC(=O)OC(C)C)cc1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 5/20 0.64
LTB4R2 Q9NPC1 3/20 0.58
MAPT P10636 1/20 0.43
PLA2G4B P0C869 1/20 0.42
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
PRSS1 P07477 2/20 0.38
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
REN P00797 2/20 0.38
MAOB P27338 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
SCHEMBL8994894 0.90 LTB4R (0.67) LTB4RLTB4R2MAPTPLA2G4BDRD2
SCHEMBL8995062 0.90 LTB4R (0.61) LTB4RLTB4R2MAPTPLA2G4BDRD2
SCHEMBL8994991 0.87 LTB4R (0.62) LTB4RLTB4R2MAPTPLA2G4BDRD2
SCHEMBL8994854 0.87 LTB4R (0.62) LTB4RLTB4R2MAPTPLA2G4BPPARG
SCHEMBL8994928 0.80 LTB4R (0.84) LTB4RLTB4R2MAPTPLA2G4BTHRA
SCHEMBL9119933 0.79 LTB4R (0.61) LTB4RLTB4R2MAPTPLA2G4BREN
SCHEMBL9119939 0.79 LTB4R (0.72) LTB4RLTB4R2MAPTPLA2G4BTHRA
SCHEMBL7711975 0.79 LTB4R (0.72) LTB4RLTB4R2MAPTPLA2G4BTHRA
SCHEMBL6138115 0.78 LTB4R (0.74) LTB4RLTB4R2MAPTPLA2G4BPPARG
SCHEMBL8748241 0.78 LTB4R (0.78) LTB4RLTB4R2MAPTPLA2G4BTHRA

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 2 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