SCHEMBL8995036

SCHEMBL8995036

CCOC(=N)c1ccc(OCCCCCOc2ccc(C(=O)N(C(C)C)C(C)C)c(Cl)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 3/20 0.48
THRB P10828 6/20 0.45
THRA P10827 2/20 0.45
LTB4R2 Q9NPC1 1/20 0.44
MEN1 O00255 1/20 0.43
PKM P14618 1/20 0.43
KMT2A Q03164 1/20 0.43
SRD5A2 P31213 1/20 0.42
HTT P42858 1/20 0.38
GAA P10253 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
DGAT1 O75907 1/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL8994878 0.91 LTB4R (0.50) LTB4RTHRBTHRALTB4R2MEN1
SCHEMBL8995079 0.89 LTB4R (0.48) LTB4RTHRBTHRALTB4R2MEN1
SCHEMBL8994977 0.89 LTB4R (0.48) LTB4RTHRBTHRALTB4R2MEN1
SCHEMBL8995071 0.87 LTB4R (0.56) LTB4RTHRBTHRALTB4R2HTT
SCHEMBL8995025 0.86 LTB4R (0.63) LTB4RLTB4R2PKMHTT
Hydrochloric Acid SCHEMBL8994980 0.86 LTB4R (0.56) LTB4RTHRBTHRALTB4R2
Hydrochloric Acid SCHEMBL8590502 0.86 LTB4R (0.48) LTB4RTHRBTHRALTB4R2MEN1
SCHEMBL8994945 0.86 LTB4R (0.55) LTB4RLTB4R2MEN1KMT2ASRD5A2
Hydrochloric Acid SCHEMBL8995049 0.85 LTB4R (0.62) LTB4RLTB4R2PKMHTT
SCHEMBL8591184 0.85 LTB4R (0.48) LTB4RLTB4R2SRD5A2HTTTP53

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