SCHEMBL9022467

SCHEMBL9022467

O=C(O)c1cc(CC(=O)N(O)CCc2ccccc2)c2cccc(OCc3ccccc3)c2c1

nearest known ligand 0.80

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 16/20 0.80
LTB4R2 Q9NPC1 15/20 0.80
ALOX5 P09917 3/20 0.53
MRGPRX4 Q96LA9 1/20 0.48

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
SCHEMBL29396901 0.89 LTB4R (1.00) LTB4RLTB4R2
SCHEMBL1894401 0.89 LTB4R (1.00) LTB4RLTB4R2
SCHEMBL9022847 0.81 LTB4R (0.84) LTB4RLTB4R2
SCHEMBL9023332 0.80 LTB4R (0.83) LTB4RLTB4R2
SCHEMBL1894403 0.79 LTB4R (0.69) LTB4RLTB4R2MRGPRX4
SCHEMBL10695839 0.75 ALOX5 (0.61) LTB4RLTB4R2ALOX5
SCHEMBL7959149 0.73 LTB4R (0.60) LTB4RLTB4R2MRGPRX4
SCHEMBL9023836 0.73 LTB4R (1.00) LTB4RLTB4R2
SCHEMBL9023608 0.73 LTB4R (1.00) LTB4RLTB4R2
SCHEMBL14021678 0.72 LTB4R (0.81) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0548250-B1 SUBSTITUTED BICYCLIC ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B4 ANTAGONIST ACTIVITY RHONE POULENC RORER INT (US) 1996-03-27 EP disclosed
EP-0548250-A4 SUBSTITUTED BICYCLIC ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B 4? ANTAGONIST ACTIVITY 1993-10-27 EP disclosed
EP-0548250-A1 SUBSTITUTED BICYCLIC ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B 4? ANTAGONIST ACTIVITY. RHONE POULENC RORER INT (US) 1993-06-30 EP disclosed
WO-1992004321-A1 SUBSTITUTED BICYCLIC ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B4 ANTAGONIST ACTIVITY RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1992-03-19 WO disclosed