SCHEMBL7428192

SCHEMBL7428192

CC(C)CC(C(=O)O)N(CCc1ccc(Oc2cc(Cl)cc(Cl)c2)cc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 1/20 0.46
PRMT6 Q96LA8 1/20 0.46
LPAR1 Q92633 3/20 0.42
LPAR5 Q9H1C0 3/20 0.42
PPARG P37231 5/20 0.38
PPARA Q07869 5/20 0.38
ACHE P22303 1/20 0.36
FFAR1 O14842 1/20 0.36
ALDH1A1 P00352 1/20 0.36
NPY5R Q15761 2/20 0.36
GRN P28799 1/20 0.36
SORT1 Q99523 1/20 0.36
MCL1 Q07820 1/20 0.35

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
SCHEMBL7423137 0.87 FFAR1 (0.48) LPAR1LPAR5ACHEFFAR1NPY5R
SCHEMBL7424617 0.87 MAOB (0.42) FFAR1
SCHEMBL7429166 0.86 MMP2 (0.39) LPAR1LPAR5PPARAACHEALDH1A1
SCHEMBL7419020 0.85 GRN (0.38) ALDH1A1GRNSORT1
SCHEMBL7419478 0.85 MMP2 (0.42) PPARGPPARAALDH1A1GRNSORT1
SCHEMBL7426506 0.85 MMP2 (0.45) LPAR1LPAR5PPARAACHE
SCHEMBL7422445 0.83 SLC1A5 (0.40) LPAR1LPAR5PPARAGRNSORT1
SCHEMBL7426638 0.79 ALDH1A1 (0.43) PPARGPPARAALDH1A1GRNSORT1
SCHEMBL7417897 0.78 FOLH1 (0.45)
SCHEMBL7424530 0.78 LTB4R (0.44)

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