SCHEMBL8994859

SCHEMBL8994859

CCOC(=N)c1ccc(OCCCCCOc2ccc(C(=O)N3CCCCC3C)cc2OC)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.48
HPGD P15428 3/20 0.48
HSD17B10 Q99714 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
LTB4R Q15722 2/20 0.46
ALDH1A1 P00352 3/20 0.45
GAA P10253 1/20 0.44
PLA2G4B P0C869 1/20 0.43
MEN1 O00255 1/20 0.43
TSHR P16473 1/20 0.43
KMT2A Q03164 1/20 0.43
POLB P06746 1/20 0.42
CYP2C19 P33261 1/20 0.42
LTB4R2 Q9NPC1 1/20 0.42
ACHE P22303 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
Hydrochloric Acid SCHEMBL8994946 0.88 LTB4R (0.58) HRH3HPGDHSD17B10L3MBTL1LTB4R
SCHEMBL8995063 0.86 HPGD (0.65) HPGDHSD17B10L3MBTL1LTB4RALDH1A1
SCHEMBL8994972 0.86 HPGD (0.64) HPGDHSD17B10L3MBTL1LTB4RALDH1A1
Hydrochloric Acid SCHEMBL8994953 0.81 HRH3 (0.46) HRH3HPGDHSD17B10L3MBTL1LTB4R
SCHEMBL8994910 0.80 LTB4R (0.55) HPGDLTB4RALDH1A1PLA2G4BTSHR
SCHEMBL8994906 0.77 LTB4R (0.53) LTB4RPLA2G4BMEN1TSHRKMT2A
SCHEMBL8994912 0.77 LTB4R (0.59) LTB4RPLA2G4BTSHRPOLBLTB4R2
SCHEMBL8994887 0.76 LTB4R (0.76) LTB4RPLA2G4BTSHRPOLBLTB4R2
SCHEMBL8995032 0.76 SMPD1 (0.51) HRH3L3MBTL1LTB4RPLA2G4BMEN1
SCHEMBL18574518 0.76 ROCK2 (0.49) HPGDHSD17B10L3MBTL1ALDH1A1MEN1

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