SCHEMBL11451677

SCHEMBL11451677

CC/C(=N\OCc1cccc(Oc2ccccc2)c1)c1ccc(C)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 6/20 0.46
CETP P11597 1/20 0.45
FFAR4 Q5NUL3 2/20 0.42
MMP13 P45452 1/20 0.42
MAPK14 Q16539 1/20 0.41
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
FAAH O00519 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MAPT P10636 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
THRB P10828 1/20 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
SCHEMBL11451678 1.00 FFAR1 (0.46) FFAR1CETPFFAR4MMP13MAPK14
SCHEMBL11573519 0.89 NPC1 (0.50) FFAR1CETPFFAR4TSHRHSD17B10
SCHEMBL11573521 0.89 NPC1 (0.50) FFAR1CETPFFAR4TSHRHSD17B10
SCHEMBL6562382 0.75 PPARG (0.47) KDM4EALDH1A1TDP1L3MBTL1MAPT
SCHEMBL27761172 0.75 MAOB (0.44) ALDH1A1L3MBTL1
SCHEMBL6562384 0.75 PPARG (0.47) KDM4EALDH1A1TDP1L3MBTL1MAPT
SCHEMBL5419513 0.74 FFAR1 (0.46) FFAR1FFAR4
SCHEMBL5419520 0.74 FFAR1 (0.46) FFAR1FFAR4
SCHEMBL5426918 0.74 PLA2G4B (0.47) TDP1L3MBTL1MAPTTHRB
SCHEMBL5426924 0.74 PLA2G4B (0.47) TDP1L3MBTL1MAPTTHRB

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
JP-55115864-A None JP disclosed
JP-S55115864-A NOVEL COMPOUND, ITS PREPARATION, ACARICIDE AND INSECTICIDE COMPRISING IT KANESHO KK 1980-09-06 JP disclosed