SCHEMBL8995071

SCHEMBL8995071

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

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 3/20 0.56
LTB4R2 Q9NPC1 1/20 0.52
THRA P10827 2/20 0.46
THRB P10828 2/20 0.46
BCL2L1 Q07817 2/20 0.42
LSS P48449 2/20 0.42
HIF1A Q16665 1/20 0.41
PLA2G4B P0C869 1/20 0.39
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.37
PTPN1 P18031 2/20 0.37
PTPN2 P17706 1/20 0.37

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
Hydrochloric Acid SCHEMBL8994980 0.99 LTB4R (0.56) LTB4RLTB4R2THRATHRBBCL2L1
SCHEMBL8994948 0.92 LTB4R (0.59) LTB4RLTB4R2THRATHRBBCL2L1
Hydrochloric Acid SCHEMBL8590502 0.91 LTB4R (0.48) LTB4RLTB4R2THRATHRBPLA2G4B
SCHEMBL8591184 0.90 LTB4R (0.48) LTB4RLTB4R2PLA2G4BHTT
SCHEMBL8994878 0.90 LTB4R (0.50) LTB4RLTB4R2THRATHRBPLA2G4B
Hydrochloric Acid SCHEMBL8589791 0.89 LTB4R (0.47) LTB4RLTB4R2THRATHRBPLA2G4B
Hydrochloric Acid SCHEMBL8593811 0.89 LTB4R (0.48) LTB4RLTB4R2THRATHRBHTT
Hydrochloric Acid SCHEMBL8593266 0.89 LTB4R (0.46) LTB4RLTB4R2THRATHRB
SCHEMBL8995079 0.88 LTB4R (0.48) LTB4RLTB4R2THRATHRBLSS
Hydrochloric Acid SCHEMBL8591953 0.88 LTB4R (0.46) 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 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