SCHEMBL9201451

SCHEMBL9201451

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

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 1/20 0.54
LTB4R2 Q9NPC1 1/20 0.54
ALOX15 P16050 1/20 0.53
PTPN7 P35236 1/20 0.53
MAOA P21397 2/20 0.51
MAOB P27338 2/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
PAM P19021 1/20 0.50
PPARA Q07869 4/20 0.48
PPARD Q03181 3/20 0.48
PPARG P37231 3/20 0.48
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.46
FFAR1 O14842 1/20 0.46
IDO1 P14902 1/20 0.46

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
SCHEMBL9201444 1.00 LTB4R (0.54) LTB4RLTB4R2ALOX15PTPN7MAOA
SCHEMBL9208348 0.93 LTB4R (0.64) LTB4RLTB4R2ALOX15PTPN7MAOA
SCHEMBL9208352 0.93 LTB4R (0.64) LTB4RLTB4R2ALOX15PTPN7MAOA
SCHEMBL9203671 0.85 NPC1 (0.53) LTB4RLTB4R2MAOAMAOBNPC1
SCHEMBL9203661 0.85 NPC1 (0.53) LTB4RLTB4R2MAOAMAOBNPC1
SCHEMBL9208074 0.85 LTB4R (0.71) LTB4RLTB4R2MAOAMAOBNPC1
SCHEMBL9208066 0.85 LTB4R (0.71) LTB4RLTB4R2MAOAMAOBNPC1
SCHEMBL9206385 0.82 LTB4R (0.76) LTB4RLTB4R2NPC1RAB9APPARA
SCHEMBL9206284 0.82 LTB4R (0.53) LTB4RLTB4R2MAOAMAOBNPC1
SCHEMBL9206279 0.82 LTB4R (0.53) LTB4RLTB4R2MAOAMAOBNPC1

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
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