SCHEMBL8862079

SCHEMBL8862079

CCCCCCCCCCCCOc1ccc(SC(O)c2ccccc2C(=O)OC)nc1C=CCC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 6/20 0.41
CNR1 P21554 2/20 0.40
CNR2 P34972 2/20 0.40
CYSLTR2 Q9NS75 2/20 0.39
CYSLTR1 Q9Y271 2/20 0.39
PPARG P37231 5/20 0.39
PPARA Q07869 3/20 0.39
CYP2C9 P11712 1/20 0.39
C5 P01031 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MEN1 O00255 1/20 0.36
NR1I2 O75469 1/20 0.36
LMNA P02545 1/20 0.36
CHRM2 P08172 1/20 0.36
CYP3A4 P08684 1/20 0.36
ADRA2A P08913 1/20 0.36
MAPT P10636 1/20 0.36
OPRK1 P41145 1/20 0.36
HTR2B P41595 1/20 0.36
SLC6A3 Q01959 1/20 0.36

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
SCHEMBL8862111 0.84 LTB4R (0.42) LTB4RPPARGPPARACYP2C9C5
SCHEMBL8862057 0.83 LTB4R (0.51) LTB4RPPARGPPARAC5PTPN11
SCHEMBL8065558 0.82 LTB4R (0.58) LTB4RCNR1CNR2CYSLTR2CYSLTR1
SCHEMBL27447111 0.79 LTB4R (0.45) LTB4RCNR1CNR2CYSLTR2CYSLTR1
SCHEMBL8862136 0.78 LTB4R (0.48) LTB4RKMT2A
SCHEMBL9335128 0.75 LTB4R (0.45) LTB4RMEN1LMNAKMT2A
SCHEMBL8862102 0.73 LTB4R (0.44) LTB4RC5PTPN11
SCHEMBL8862061 0.72 LTB4R (0.47) LTB4RCNR1CNR2PTPN11
SCHEMBL8862066 0.72 LTB4R (0.47) LTB4RCNR1CNR2PTPN11
SCHEMBL8862053 0.70 LTB4R (0.53) LTB4RCNR1CNR2PTPN11

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-5656636-A TREATING PSORIASIS SMITHKLINE BEECHAM CORPORATION (US) 1997-08-12 US disclosed
US-5633258-A Pyridine compounds for treating leukotriene-related diseases SMITHKLINE BEECHAM CORPORATION (US) 1997-05-27 US disclosed
US-5631262-A Pyridine compounds for treating leukotriene-related diseases SMITHKLINE BEECHAM CORPORATION (US) 1997-05-20 US disclosed