SCHEMBL8994967

SCHEMBL8994967

COc1cc(C(=O)N(C(C)C)C(C)C)ccc1OCCCCCOc1ccc(C=NN)cc1.O=S(=O)(O)CCO

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 3/20 0.63
LTB4R2 Q9NPC1 1/20 0.60
LMNA P02545 4/20 0.45
ALDH1A1 P00352 3/20 0.45
POLB P06746 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
MAPT P10636 3/20 0.45
RAB9A P51151 2/20 0.45
HTT P42858 2/20 0.45
KDM4E B2RXH2 2/20 0.45
NPC1 O15118 1/20 0.45
ALOX15 P16050 1/20 0.45
BRCA1 P38398 1/20 0.45
GMNN O75496 1/20 0.45
PKM P14618 1/20 0.45
THPO P40225 1/20 0.45
MTOR P42345 1/20 0.45
RECQL P46063 1/20 0.45
BLM P54132 1/20 0.45
HIF1A Q16665 1/20 0.45

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
SCHEMBL7711975 0.93 LTB4R (0.72) LTB4RLTB4R2LMNAALDH1A1POLB
SCHEMBL8994985 0.92 LTB4R (0.68) LTB4RLTB4R2LMNAALDH1A1POLB
Hydrochloric Acid SCHEMBL8994890 0.92 LTB4R (0.71) LTB4RLTB4R2LMNAALDH1A1POLB
SCHEMBL9702013 0.90 LTB4R (0.68) LTB4RLTB4R2LMNAALDH1A1POLB
Fumaric Acid SCHEMBL3182319 0.89 LTB4R (0.76) LTB4RLTB4R2LMNAALDH1A1POLB
Maleic Acid SCHEMBL7748813 0.89 LTB4R (0.76) LTB4RLTB4R2LMNAALDH1A1POLB
Hydrochloric Acid SCHEMBL8995021 0.89 LTB4R (0.68) LTB4RLTB4R2MAPTPLA2G4BPRSS1
Moxilubant SCHEMBL8994961 0.87 LTB4R (0.84) LTB4RLTB4R2LMNAALDH1A1POLB
SCHEMBL9699613 0.84 LTB4R (0.59) LTB4RLTB4R2LMNAALDH1A1POLB
Hydrochloric Acid SCHEMBL9701722 0.83 LTB4R (0.58) LTB4RLTB4R2LMNAALDH1A1POLB

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