SCHEMBL8862052

SCHEMBL8862052

CCCCCCCCCCCCOc1ccc(SC(O)c2ccc(C(=O)O)cc2)nc1C=CC(=O)O

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 13/20 0.60
PTPN11 Q06124 1/20 0.43
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL8065586 0.90 LTB4R (0.71) LTB4RPTPN11
SCHEMBL8065558 0.83 LTB4R (0.58) LTB4RPTPN11
SCHEMBL8862111 0.82 LTB4R (0.42) LTB4RTSHR
SCHEMBL8862008 0.78 LTB4R (0.65) LTB4R
SCHEMBL8862012 0.77 LTB4R (0.74) LTB4R
SCHEMBL8862075 0.77 LTB4R (0.54) LTB4R
SCHEMBL27447492 0.77 LTB4R (0.62) LTB4RPTPN11
SCHEMBL8080170 0.77 LTB4R (0.62) LTB4RPTPN11
SCHEMBL9367967 0.77 LTB4R (0.64) LTB4R
SCHEMBL8065566 0.76 LTB4R (0.68) LTB4R

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