SCHEMBL9201817

SCHEMBL9201817

COC(=O)COc1cc(CC(=O)N(C)CCc2ccccc2)cc(OCC=Cc2ccccc2)c1

nearest known ligand 0.77

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 18/20 0.77
LTB4R2 Q9NPC1 18/20 0.77

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
SCHEMBL9199980 0.93 LTB4R (0.66) LTB4RLTB4R2
SCHEMBL9199491 0.92 LTB4R (0.83) LTB4RLTB4R2
SCHEMBL9201426 0.92 LTB4R (0.86) LTB4RLTB4R2
SCHEMBL9203571 0.87 LTB4R (1.00) LTB4RLTB4R2
SCHEMBL14021665 0.87 LTB4R (1.00) LTB4RLTB4R2
SCHEMBL9206385 0.86 LTB4R (0.76) LTB4RLTB4R2
SCHEMBL9199574 0.85 LTB4R (0.83) LTB4RLTB4R2
SCHEMBL9206284 0.85 LTB4R (0.53) LTB4RLTB4R2
SCHEMBL9206279 0.85 LTB4R (0.53) LTB4RLTB4R2
SCHEMBL9203661 0.82 NPC1 (0.53) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0538416-B1 SUBSTITUTED MONOCYCLIC ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B 4 ANTAGONIST ACTIVITY RHONE POULENC RORER INT (US) 1995-08-09 EP disclosed
US-5232948-A SUBSTITUTED MONOCYCLIC ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B4 ANTAGONIST ACTIVITY RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1993-08-03 US disclosed
WO-1992004315-A1 SUBSTITUTED MONOCYCLIC ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B4 ANTAGONIST ACTIVITY RHONE-POULENC RORER INTERNATIONAL (HOLDINGS), INC. (US) 1992-03-19 WO disclosed