SCHEMBL8862057

SCHEMBL8862057

CCCCCCCCCCCCOc1ccc(SC(O)c2cccc(C(=O)OC)c2)nc1C=CCC(=O)O

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 10/20 0.51
C5 P01031 1/20 0.40
PTPN11 Q06124 1/20 0.37
PPARG P37231 2/20 0.36
PPARA Q07869 2/20 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 0.90 LTB4R (0.42) LTB4RC5PPARGPPARA
SCHEMBL8065586 0.84 LTB4R (0.71) LTB4RPTPN11
SCHEMBL8862079 0.83 LTB4R (0.41) LTB4RC5PTPN11PPARGPPARA
SCHEMBL9335128 0.83 LTB4R (0.45) LTB4R
SCHEMBL8862102 0.82 LTB4R (0.44) LTB4RC5PTPN11
SCHEMBL27373633 0.80 LTB4R (0.57) LTB4RC5
SCHEMBL8862121 0.79 LTB4R (0.57) LTB4R
SCHEMBL9333856 0.79 LTB4R (0.49) LTB4RPTPN11
SCHEMBL8862132 0.79 LTB4R (0.70) LTB4R
SCHEMBL27452197 0.79 LTB4R (0.53) LTB4RPTPN11

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