SCHEMBL9779682

SCHEMBL9779682

CCCc1cc(-c2csc(SCc3ccccc3)n2)ccc1OCCCOc1ccc2c(c1CCC)OC(C(=O)O)CC2

nearest known ligand 0.77

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 20/20 0.77
LTB4R2 Q9NPC1 11/20 0.63

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
SCHEMBL9779662 0.91 LTB4R (0.75) LTB4RLTB4R2
SCHEMBL8990426 0.87 LTB4R (1.00) LTB4RLTB4R2
SCHEMBL9198551 0.78 LTB4R (0.84) LTB4RLTB4R2
SCHEMBL8990528 0.77 LTB4R (1.00) LTB4RLTB4R2
SCHEMBL8990523 0.77 LTB4R (0.77) LTB4RLTB4R2
SCHEMBL7201121 0.76 LTB4R (0.81) LTB4RLTB4R2
SCHEMBL7625803 0.74 LTB4R (1.00) LTB4RLTB4R2
SCHEMBL8990418 0.73 LTB4R (1.00) LTB4RLTB4R2
SCHEMBL8990518 0.73 LTB4R (1.00) LTB4RLTB4R2
SCHEMBL8661184 0.73 LTB4R (0.75) LTB4RLTB4R2

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-5073562-A Antiinflammatory agents; leukotriene by antagonists G. D. SEARLE & CO. (US) 1991-12-17 US disclosed