SCHEMBL8995065

SCHEMBL8995065

CCCNC(=O)c1ccc(OCCCCCOc2ccc(C(=N)OCC)cc2)c(OC)c1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 5/20 0.57
TP53 P04637 1/20 0.51
PLA2G4B P0C869 1/20 0.51
SLC6A5 Q9Y345 1/20 0.51
CNR2 P34972 3/20 0.50
LTB4R Q15722 1/20 0.49
ROCK2 O75116 1/20 0.49
CRHBP P24387 1/20 0.48
CRHR2 Q13324 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
POLB P06746 1/20 0.47
PRSS1 P07477 1/20 0.47

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
SCHEMBL8995032 0.92 SMPD1 (0.51) SMPD1TP53PLA2G4BSLC6A5LTB4R
SCHEMBL8994906 0.90 LTB4R (0.53) SMPD1PLA2G4BLTB4RMEN1KMT2A
Hydrochloric Acid SCHEMBL8994963 0.87 LTB4R (0.63) SMPD1TP53PLA2G4BCNR2LTB4R
SCHEMBL8994951 0.87 DRD2 (0.56) PLA2G4BROCK2
SCHEMBL8994912 0.82 LTB4R (0.59) PLA2G4BLTB4RPOLBPRSS1
SCHEMBL8995031 0.82 LTB4R (0.56) SMPD1PLA2G4BLTB4RPRSS1
SCHEMBL8994887 0.80 LTB4R (0.76) PLA2G4BLTB4RPOLBPRSS1
Hydrochloric Acid SCHEMBL8994975 0.80 SMPD1 (0.57) SMPD1TP53PLA2G4BSLC6A5CNR2
SCHEMBL8995063 0.79 HPGD (0.65) TP53PLA2G4BLTB4RMEN1KMT2A
SCHEMBL8994972 0.78 HPGD (0.64) TP53PLA2G4BLTB4RMEN1KMT2A

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