SCHEMBL8994983

SCHEMBL8994983

COc1cc(C(=O)N(C(C)C)C(C)C)ccc1OCCCCCOc1ccc(C=NNC(=O)c2ccncc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 3/20 0.59
LTB4R2 Q9NPC1 1/20 0.56
POLB P06746 3/20 0.55
SMN1; SMN2 Q16637 4/20 0.53
KDM4E B2RXH2 4/20 0.53
LMNA P02545 2/20 0.53
MPO P05164 2/20 0.52
KMT2A Q03164 4/20 0.52
ALDH1A1 P00352 4/20 0.51
MEN1 O00255 2/20 0.51
GAA P10253 1/20 0.50
NT5E P21589 1/20 0.50
MAPT P10636 2/20 0.49
HTT P42858 1/20 0.48
HPGD P15428 1/20 0.48

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
SCHEMBL9118843 0.92 LTB4R (0.61) LTB4RLTB4R2POLBSMN1; SMN2KDM4E
SCHEMBL8995060 0.91 MAPT (0.57) LTB4RLTB4R2POLBSMN1; SMN2KDM4E
SCHEMBL9116638 0.88 LTB4R (0.65) LTB4RLTB4R2POLBSMN1; SMN2KDM4E
SCHEMBL9119933 0.86 LTB4R (0.61) LTB4RLTB4R2POLBSMN1; SMN2KDM4E
SCHEMBL9120857 0.85 LTB4R (0.61) LTB4RLTB4R2POLBSMN1; SMN2KDM4E
SCHEMBL9120027 0.84 LTB4R (0.60) LTB4RLTB4R2POLBSMN1; SMN2KDM4E
SCHEMBL7711975 0.82 LTB4R (0.72) LTB4RLTB4R2POLBSMN1; SMN2KDM4E
SCHEMBL8994985 0.82 LTB4R (0.68) LTB4RLTB4R2POLBSMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL8994890 0.82 LTB4R (0.71) LTB4RLTB4R2POLBSMN1; SMN2KDM4E
SCHEMBL9702013 0.80 LTB4R (0.68) LTB4RLTB4R2POLBSMN1; SMN2KDM4E

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