SCHEMBL8994910

SCHEMBL8994910

CCOC(=N)c1ccc(OCCCCCOc2ccc(C(=O)N(C3CCCCC3)C3CCCCC3)cc2OC)cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 3/20 0.55
LTB4R2 Q9NPC1 1/20 0.50
PLA2G4B P0C869 1/20 0.45
PRSS1 P07477 2/20 0.43
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 3/20 0.41
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
SLC6A5 Q9Y345 1/20 0.41
TP53 P04637 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
BCHE P06276 2/20 0.40
ACHE P22303 2/20 0.40

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 SCHEMBL8995010 0.87 LTB4R (0.69) LTB4RLTB4R2PRSS1ACHE
SCHEMBL8994912 0.85 LTB4R (0.59) LTB4RLTB4R2PLA2G4BPRSS1POLB
SCHEMBL8994887 0.84 LTB4R (0.76) LTB4RLTB4R2PLA2G4BPRSS1POLB
SCHEMBL8995031 0.82 LTB4R (0.56) LTB4RLTB4R2PLA2G4BPRSS1MAPT
SCHEMBL8994972 0.80 HPGD (0.64) LTB4RPLA2G4BPOLBTP53NPSR1
Hydrochloric Acid SCHEMBL8995024 0.80 LTB4R (0.51) LTB4RLTB4R2PLA2G4BPRSS1POLB
SCHEMBL8994859 0.80 HRH3 (0.48) LTB4RLTB4R2PLA2G4BPOLBTSHR
SCHEMBL8994906 0.80 LTB4R (0.53) LTB4RLTB4R2PLA2G4BPRSS1MAPT
SCHEMBL8995063 0.79 HPGD (0.65) LTB4RPLA2G4BPRSS1POLBMAPT
SCHEMBL8994989 0.79 LTB4R (0.45) LTB4RLTB4R2MAPTTSHRTHRA

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