SCHEMBL7420337

SCHEMBL7420337

CC(C)COc1cccc(CCN(C(=O)O)C(CC(C)C)C(=O)O)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.42
LTB4R Q15722 1/20 0.41
LTB4R2 Q9NPC1 1/20 0.41
ALOX5 P09917 1/20 0.41
KAT6A Q92794 1/20 0.41
ACHE P22303 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
FOS P01100 1/20 0.40
JUN P05412 1/20 0.40
PTGES O14684 1/20 0.40
CYSLTR2 Q9NS75 1/20 0.39
CYSLTR1 Q9Y271 1/20 0.39
PPARG P37231 2/20 0.39
PPARA Q07869 2/20 0.39
AOC3 Q16853 1/20 0.39
CYP2D6 P10635 3/20 0.38
SIRT2 Q8IXJ6 1/20 0.38
PPARD Q03181 1/20 0.38

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
SCHEMBL6834465 0.86 LTB4R (0.45) LTB4RLTB4R2ALOX5NR1H4PTGES
SCHEMBL7424530 0.85 LTB4R (0.44) LTB4RLTB4R2ALOX5PTGESCYSLTR2
SCHEMBL7421892 0.85 NR4A2 (0.51) LTB4RLTB4R2ALOX5
SCHEMBL7427123 0.85 LTB4R (0.44) LTB4RLTB4R2ALOX5PTGESCYSLTR2
SCHEMBL7426641 0.85 LTB4R (0.47) LTB4RLTB4R2ALOX5PTGESCYSLTR2
SCHEMBL7424454 0.85 NR4A2 (0.49) LTB4RLTB4R2ALOX5PTGESCYP2D6
SCHEMBL7424281 0.83 NR4A2 (0.49) LTB4RLTB4R2ALOX5PTGESCYSLTR2
SCHEMBL7378945 0.81 MEN1 (0.48) AOC3
SCHEMBL7428411 0.79 CYP1A1 (0.40) PTGESAOC3CYP2D6
SCHEMBL7423137 0.78 FFAR1 (0.48) ACHE

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