SCHEMBL9206385

SCHEMBL9206385

CN(CCc1ccccc1)C(=O)COc1cc(OCC=Cc2ccccc2)cc(OCC(=O)O)c1

nearest known ligand 0.76

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 10/20 0.76
LTB4R2 Q9NPC1 10/20 0.76
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ALOX5 P09917 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
PPARA Q07869 4/20 0.43
PPARG P37231 3/20 0.43
PPARD Q03181 2/20 0.43

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
SCHEMBL9201426 0.94 LTB4R (0.86) LTB4RLTB4R2
SCHEMBL9199980 0.91 LTB4R (0.66) LTB4RLTB4R2NPC1RAB9ASMN1; SMN2
SCHEMBL14021665 0.86 LTB4R (1.00) LTB4RLTB4R2
SCHEMBL9203571 0.86 LTB4R (1.00) LTB4RLTB4R2
SCHEMBL9201817 0.86 LTB4R (0.77) LTB4RLTB4R2
SCHEMBL9205433 0.83 LTB4R (0.86) LTB4RLTB4R2NPC1RAB9ASMN1; SMN2
SCHEMBL9201444 0.82 LTB4R (0.54) LTB4RLTB4R2NPC1RAB9AMEN1
SCHEMBL9201451 0.82 LTB4R (0.54) LTB4RLTB4R2NPC1RAB9AMEN1
SCHEMBL9199491 0.82 LTB4R (0.83) LTB4RLTB4R2PPARAPPARG
SCHEMBL9208352 0.79 LTB4R (0.64) LTB4RLTB4R2NPC1RAB9AMEN1

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 5 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
EP-0538416-A4 SUBSTITUTED MONOCYCLIC ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B 4? ANTAGONIST ACTIVITY RHONE POULENC RORER INT (US) 1994-05-18 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
EP-0538416-A1 SUBSTITUTED MONOCYCLIC ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B 4? ANTAGONIST ACTIVITY. RHONE POULENC RORER INT (US) 1993-04-28 EP 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