SCHEMBL8994945

SCHEMBL8994945

CCOC(=N)c1ccc(OCCCCCOc2ccc(C(=O)N(C(C)C)C(C)C)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 2/20 0.55
LTB4R2 Q9NPC1 1/20 0.50
GAA P10253 1/20 0.46
HTT P42858 1/20 0.45
TP53 P04637 1/20 0.45
TSHR P16473 1/20 0.45
PLA2G4B P0C869 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
SRD5A2 P31213 1/20 0.43
HRH3 Q9Y5N1 2/20 0.43
PRMT1 Q99873 3/20 0.42
F2 P00734 2/20 0.42
ST14 Q9Y5Y6 2/20 0.42
PLAU P00749 1/20 0.42
PRMT5 O14744 1/20 0.42
SLC22A2 O15244 1/20 0.42
SLC22A1 O15245 1/20 0.42
TMPRSS2 O15393 1/20 0.42
PTP4A3 O75365 1/20 0.42
SLC22A3 O75751 1/20 0.42

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
SCHEMBL8994878 0.89 LTB4R (0.50) LTB4RLTB4R2GAAHTTTP53
SCHEMBL8994943 0.89 LTB4R (0.50) LTB4RLTB4R2GAAHTTTP53
SCHEMBL8994920 0.88 LTB4R (0.50) LTB4RLTB4R2GAAHTTTP53
SCHEMBL8994887 0.87 LTB4R (0.76) LTB4RLTB4R2TSHRPLA2G4B
SCHEMBL8994977 0.87 LTB4R (0.48) LTB4RLTB4R2GAAHTTTP53
SCHEMBL8995079 0.87 LTB4R (0.48) LTB4RLTB4R2TP53F2PLAU
SCHEMBL8995036 0.86 LTB4R (0.48) LTB4RLTB4R2GAAHTTTP53
SCHEMBL8995071 0.85 LTB4R (0.56) LTB4RLTB4R2HTTPLA2G4B
SCHEMBL8994948 0.85 LTB4R (0.59) LTB4RLTB4R2HTTPLA2G4B
SCHEMBL8995027 0.85 NPC1 (0.54) GAAHTTTP53TSHRPLA2G4B

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