SCHEMBL28526468

SCHEMBL28526468

CNC(CCc1ccc(OCc2ccccc2)cc1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.57
FFAR4 Q5NUL3 1/20 0.57
BCHE P06276 1/20 0.56
MMP12 P39900 1/20 0.56
PPARG P37231 4/20 0.55
LTB4R Q15722 1/20 0.54
LTB4R2 Q9NPC1 1/20 0.54
ALOX5 P09917 3/20 0.53
PPARD Q03181 1/20 0.52
PPARA Q07869 1/20 0.52
MME P08473 1/20 0.52
ACE P12821 1/20 0.52
CPA1 P15085 1/20 0.52
ACE2 Q9BYF1 1/20 0.52
MAOB P27338 1/20 0.51
LTA4H P09960 1/20 0.51
EPHX2 P34913 1/20 0.51

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
SCHEMBL2030203 0.86 PPARG (0.67) PPARGPPARDPPARAMMEACE
SCHEMBL8760872 0.86 PPARG (0.67) PPARGPPARDPPARAMMEACE
SCHEMBL2035189 0.86 PPARG (0.67) PPARGPPARDPPARAMMEACE
SCHEMBL16116803 0.86 ACACB (0.53) FFAR1FFAR4ACE
SCHEMBL164831 0.85 MME (0.58) MMEACECPA1ACE2
SCHEMBL164832 0.85 MME (0.58) MMEACECPA1ACE2
SCHEMBL12683553 0.85 MME (0.58) MMEACECPA1ACE2
SCHEMBL5869623 0.84 BCHE (0.54) FFAR1FFAR4BCHEMMP12PPARG
SCHEMBL5869658 0.84 BCHE (0.54) FFAR1FFAR4BCHEMMP12PPARG
SCHEMBL5869663 0.84 BCHE (0.54) FFAR1FFAR4BCHEMMP12PPARG

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
CN-112321677-A Nannocystin A analogue and preparation method and application thereof 北京大学深圳研究生院 2021-02-05 CN disclosed