SCHEMBL8995063

SCHEMBL8995063

CCOC(=N)c1ccc(OCCCCCOc2ccc(C(=O)N3CCCC3)cc2OC)cc1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.65
HSD17B10 Q99714 1/20 0.65
L3MBTL1 Q9Y468 3/20 0.64
ALDH1A1 P00352 4/20 0.55
POLB P06746 2/20 0.55
CYP2C19 P33261 1/20 0.55
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
TP53 P04637 3/20 0.52
NPSR1 Q6W5P4 1/20 0.50
KDM4E B2RXH2 1/20 0.50
LTB4R Q15722 1/20 0.48
PLA2G4B P0C869 1/20 0.48
DRD3 P35462 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
PRSS1 P07477 1/20 0.46

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
SCHEMBL8994972 0.99 HPGD (0.64) HPGDHSD17B10L3MBTL1ALDH1A1POLB
SCHEMBL8994859 0.86 HRH3 (0.48) HPGDHSD17B10L3MBTL1ALDH1A1POLB
Hydrochloric Acid SCHEMBL8995012 0.86 HPGD (0.64) HPGDHSD17B10L3MBTL1ALDH1A1POLB
Hydrochloric Acid SCHEMBL8995064 0.85 HPGD (0.63) HPGDHSD17B10L3MBTL1ALDH1A1MEN1
SCHEMBL8994906 0.83 LTB4R (0.53) MEN1KMT2ALTB4RPLA2G4BMAPT
SCHEMBL8994912 0.82 LTB4R (0.59) POLBLTB4RPLA2G4BMAPTPRSS1
SCHEMBL8995032 0.81 SMPD1 (0.51) L3MBTL1MEN1KMT2ATP53LTB4R
SCHEMBL8994910 0.79 LTB4R (0.55) HPGDALDH1A1POLBTP53NPSR1
SCHEMBL8995031 0.79 LTB4R (0.56) LTB4RPLA2G4BMAPTPRSS1
SCHEMBL8994887 0.79 LTB4R (0.76) POLBLTB4RPLA2G4BMAPTPRSS1

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