SCHEMBL8994943

SCHEMBL8994943

CCOC(=N)c1ccc(OCCCCCOc2cc(C)c(C(=O)N(C(C)C)C(C)C)c(C)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 2/20 0.50
LTB4R2 Q9NPC1 1/20 0.46
THRA P10827 2/20 0.41
THRB P10828 2/20 0.41
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MCOLN3 Q8TDD5 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
PKM P14618 1/20 0.40
HTT P42858 1/20 0.40
GAA P10253 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40
PLA2G4B P0C869 1/20 0.39
SRD5A2 P31213 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
RARB P10826 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
SCHEMBL8994977 0.89 LTB4R (0.48) LTB4RLTB4R2THRATHRBMEN1
SCHEMBL8994878 0.89 LTB4R (0.50) LTB4RLTB4R2THRATHRBMEN1
SCHEMBL8994945 0.89 LTB4R (0.55) LTB4RLTB4R2MEN1KMT2AHTT
Hydrochloric Acid SCHEMBL8995006 0.86 LTB4R (0.64) LTB4RLTB4R2PKMHTTALDH1A1
SCHEMBL8995079 0.83 LTB4R (0.48) LTB4RLTB4R2THRATHRBHPGD
SCHEMBL8994920 0.82 LTB4R (0.50) LTB4RLTB4R2THRATHRBHTT
SCHEMBL8995036 0.82 LTB4R (0.48) LTB4RLTB4R2THRATHRBMEN1
SCHEMBL8994887 0.81 LTB4R (0.76) LTB4RLTB4R2THRATHRBTSHR
SCHEMBL8995071 0.81 LTB4R (0.56) LTB4RLTB4R2THRATHRBHTT
Hydrochloric Acid SCHEMBL8994980 0.81 LTB4R (0.56) LTB4RLTB4R2THRATHRBALDH1A1

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 3 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