SCHEMBL8430672

SCHEMBL8430672

CCCCCCCCCCCCOc1ccc(-c2cccc(C(=O)O)c2CC)nc1C=CC(=O)O

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 17/20 0.58
PTPN11 Q06124 3/20 0.49

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
SCHEMBL8430669 1.00 LTB4R (0.58) LTB4RPTPN11
SCHEMBL8433090 0.87 LTB4R (0.63) LTB4R
SCHEMBL8433092 0.87 LTB4R (0.63) LTB4R
SCHEMBL9490960 0.77 LTB4R (0.70) LTB4RPTPN11
SCHEMBL8430578 0.75 LTB4R (0.51) LTB4R
SCHEMBL8065558 0.73 LTB4R (0.58) LTB4RPTPN11
SCHEMBL8075772 0.72 LTB4R (1.00) LTB4R
SCHEMBL27351072 0.72 LTB4R (1.00) LTB4R
SCHEMBL27356519 0.72 LTB4R (0.76) LTB4R
SCHEMBL8731379 0.72 LTB4R (0.70) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5929096-A TREATING DISEASES ATTRIBUTING THEIR ORIGIN OR AFFECT TO LEUKOTRIENES, ANTIALLERGENS SMITHKLINE BEECHAM CORPORATION (US) 1999-07-27 US disclosed