SCHEMBL8994972

SCHEMBL8994972

CCOC(=N)c1ccc(OCCCCCOc2ccc(C(=O)N3CCCCC3)cc2OC)cc1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.64
HSD17B10 Q99714 1/20 0.64
L3MBTL1 Q9Y468 2/20 0.63
ALDH1A1 P00352 5/20 0.55
POLB P06746 1/20 0.54
CYP2C19 P33261 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
TP53 P04637 3/20 0.51
NPSR1 Q6W5P4 1/20 0.49
KDM4E B2RXH2 1/20 0.49
LTB4R Q15722 1/20 0.48
BCHE P06276 1/20 0.47
ACHE P22303 1/20 0.47
PLA2G4B P0C869 1/20 0.47
DRD3 P35462 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
SCHEMBL8995063 0.99 HPGD (0.65) HPGDHSD17B10L3MBTL1ALDH1A1POLB
Hydrochloric Acid SCHEMBL8995064 0.86 HPGD (0.63) HPGDHSD17B10L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL8994859 0.86 HRH3 (0.48) HPGDHSD17B10L3MBTL1ALDH1A1POLB
Hydrochloric Acid SCHEMBL8995012 0.85 HPGD (0.64) HPGDHSD17B10L3MBTL1ALDH1A1POLB
SCHEMBL8994906 0.82 LTB4R (0.53) MEN1KMT2ALTB4RPLA2G4B
SCHEMBL8994912 0.81 LTB4R (0.59) POLBLTB4RPLA2G4B
SCHEMBL8994910 0.80 LTB4R (0.55) HPGDALDH1A1POLBTP53NPSR1
SCHEMBL8995032 0.80 SMPD1 (0.51) L3MBTL1MEN1KMT2ATP53LTB4R
Hydrochloric Acid SCHEMBL8995069 0.79 HPGD (0.59) HPGDHSD17B10L3MBTL1ALDH1A1POLB
SCHEMBL8994887 0.78 LTB4R (0.76) POLBLTB4RPLA2G4B

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