SCHEMBL8995020

SCHEMBL8995020

COC(=O)c1ccc(OCCCCCOc2ccc(C#N)cc2)c(OC)c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PLA2G4B P0C869 1/20 0.53
MAPT P10636 4/20 0.51
ALDH1A1 P00352 1/20 0.51
KMT2A Q03164 1/20 0.51
LTB4R Q15722 1/20 0.51
PRSS1 P07477 2/20 0.49
PPARD Q03181 1/20 0.48
PPARA Q07869 1/20 0.48
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
MAOB P27338 1/20 0.47
MGLL Q99685 1/20 0.46
SMPD1 P17405 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
SCHEMBL8994937 0.90 PLA2G4B (0.64) PLA2G4BMAPTALDH1A1LTB4RPRSS1
SCHEMBL8994850 0.88 PLA2G4B (0.53) PLA2G4BMAPTALDH1A1KMT2ALTB4R
SCHEMBL5767014 0.86 MAPT (0.64) MAPTKMT2APRSS1MAOBMGLL
SCHEMBL14539213 0.83 L3MBTL4 (0.46) PLA2G4BMAPTALDH1A1KMT2ALTB4R
SCHEMBL8747939 0.83 LTB4R (0.74) PLA2G4BMAPTALDH1A1LTB4RPRSS1
SCHEMBL8748091 0.83 LTB4R (0.74) PLA2G4BMAPTALDH1A1LTB4RPRSS1
SCHEMBL13093599 0.83 LTB4R (0.45) PLA2G4BMAPTALDH1A1KMT2ALTB4R
SCHEMBL8747942 0.82 LTB4R (0.53) PLA2G4BMAPTALDH1A1LTB4RMAOB
SCHEMBL8748088 0.82 LTB4R (0.72) PLA2G4BMAPTALDH1A1LTB4RPRSS1
SCHEMBL2149738 0.82 MAPT (0.66) MAPTALDH1A1KMT2APRSS1MGLL

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