SCHEMBL10639079

SCHEMBL10639079

CCCc1c(OCCCCCOc2ccc(C(C)=O)c(O)c2)ccc2c1OC(C(=O)OCC)CC2

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 15/20 0.62
LTB4R2 Q9NPC1 7/20 0.62
CYSLTR1 Q9Y271 3/20 0.59
CYSLTR2 Q9NS75 2/20 0.59
TBXAS1 P24557 1/20 0.55

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
SCHEMBL10638940 0.89 LTB4R (0.50) LTB4RLTB4R2CYSLTR1CYSLTR2TBXAS1
SCHEMBL8583520 0.86 LTB4R (0.83) LTB4RLTB4R2CYSLTR1CYSLTR2
SCHEMBL10635555 0.85 CYSLTR1 (0.70) LTB4RLTB4R2CYSLTR1CYSLTR2TBXAS1
SCHEMBL10638633 0.84 MAOB (0.49) LTB4RLTB4R2CYSLTR1CYSLTR2TBXAS1
SCHEMBL10638585 0.83 CYSLTR1 (0.59) LTB4RLTB4R2CYSLTR1CYSLTR2TBXAS1
SCHEMBL10636370 0.83 LTB4R (0.57) LTB4RLTB4R2CYSLTR1CYSLTR2
SCHEMBL10638675 0.82 LTB4R (0.64) LTB4RLTB4R2CYSLTR1CYSLTR2TBXAS1
SCHEMBL8586654 0.82 LTB4R (0.59) LTB4RLTB4R2CYSLTR1CYSLTR2
SCHEMBL8670848 0.82 LTB4R (0.61) LTB4RLTB4R2CYSLTR1CYSLTR2
SCHEMBL9821707 0.81 LTB4R (0.79) LTB4RLTB4R2CYSLTR1CYSLTR2TBXAS1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4788214-A ANTIALLERGENS HOFFMAN-LA ROCHE INC. (US) 1988-11-29 US disclosed
US-4785017-A ANTIALLERGENS HOFFMANN-LA ROCHE INC. (US) 1988-11-15 US disclosed