SCHEMBL7424530

SCHEMBL7424530

CC(C)CC(C(=O)O)N(CCc1cccc(OCc2cc(Cl)cc(Cl)c2)c1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 1/20 0.44
LTB4R2 Q9NPC1 1/20 0.44
ALOX5 P09917 1/20 0.44
NR4A2 P43354 2/20 0.43
PTGES O14684 1/20 0.43
MAOB P27338 5/20 0.42
MAOA P21397 4/20 0.42
MRGPRX4 Q96LA9 1/20 0.41
CYP2D6 P10635 1/20 0.41
PKM P14618 1/20 0.41
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
CYSLTR2 Q9NS75 1/20 0.40
CYSLTR1 Q9Y271 1/20 0.40
BCHE P06276 2/20 0.39
RXRA P19793 2/20 0.39
RXRB P28702 2/20 0.39
RXRG P48443 2/20 0.39

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
SCHEMBL7421892 0.94 NR4A2 (0.51) LTB4RLTB4R2ALOX5NR4A2MAOB
SCHEMBL7424454 0.92 NR4A2 (0.49) LTB4RLTB4R2ALOX5NR4A2PTGES
SCHEMBL6834465 0.89 LTB4R (0.45) LTB4RLTB4R2ALOX5PTGESMAOB
SCHEMBL7424617 0.89 MAOB (0.42) LTB4RLTB4R2ALOX5NR4A2MAOB
SCHEMBL7427123 0.88 LTB4R (0.44) LTB4RLTB4R2ALOX5NR4A2PTGES
SCHEMBL7424281 0.86 NR4A2 (0.49) LTB4RLTB4R2ALOX5NR4A2PTGES
SCHEMBL7426641 0.86 LTB4R (0.47) LTB4RLTB4R2ALOX5PTGESCYP2D6
SCHEMBL7420337 0.85 FAAH (0.42) LTB4RLTB4R2ALOX5PTGESCYP2D6
SCHEMBL7430634 0.84 AOC3 (0.39)
SCHEMBL7426730 0.82 AOC3 (0.43)

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 1 patent. 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