SCHEMBL7426641

SCHEMBL7426641

CC(C)CC(C(=O)O)N(CCc1cccc(OCc2ccncc2)c1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 1/20 0.47
LTB4R2 Q9NPC1 1/20 0.47
SLC2A1 P11166 6/20 0.46
GPR132 Q9UNW8 3/20 0.46
SLC2A4 P14672 1/20 0.46
ALOX5 P09917 1/20 0.46
PTGES O14684 1/20 0.45
CYP2D6 P10635 1/20 0.43
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43
CYSLTR2 Q9NS75 1/20 0.42
CYSLTR1 Q9Y271 1/20 0.42
BCHE P06276 1/20 0.42
NPC1 O15118 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ABCB1 P08183 1/20 0.41

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
SCHEMBL7424454 0.88 NR4A2 (0.49) LTB4RLTB4R2ALOX5PTGESCYP2D6
SCHEMBL7426589 0.87 MAOB (0.51) LTB4RLTB4R2ALOX5NPC1HTT
SCHEMBL7421865 0.87 MAOB (0.51) LTB4RLTB4R2ALOX5NPC1HTT
SCHEMBL6834465 0.87 LTB4R (0.45) LTB4RLTB4R2ALOX5PTGESCYP2D6
SCHEMBL7424530 0.86 LTB4R (0.44) LTB4RLTB4R2ALOX5PTGESCYP2D6
SCHEMBL7427123 0.86 LTB4R (0.44) LTB4RLTB4R2ALOX5PTGESCYP2D6
SCHEMBL7421892 0.86 NR4A2 (0.51) LTB4RLTB4R2ALOX5
SCHEMBL7420337 0.85 FAAH (0.42) LTB4RLTB4R2ALOX5PTGESCYP2D6
SCHEMBL7424281 0.82 NR4A2 (0.49) LTB4RLTB4R2GPR132ALOX5PTGES
SCHEMBL7421351 0.80 MMP13 (0.48) LTB4RLTB4R2GPR132

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
WO-2002039997-A2 ACE-2 MODULATING COMPOUNDS AND USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-05-23 WO claimed
WO-2002039997-A2 ACE-2 MODULATING COMPOUNDS AND USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-05-23 WO disclosed