SCHEMBL28052261

SCHEMBL28052261

[CH2]CC(C)(CCC(=O)O)OCCC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
ALDH1A1 P00352 4/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP1A2 P05177 1/20 0.35
THRB P10828 1/20 0.35
NAALAD2 Q9Y3Q0 1/20 0.34
AKR1B1 P15121 1/20 0.33
S1PR4 O95977 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
LMNA P02545 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GPR84 Q9NQS5 7/20 0.32
PPARG P37231 7/20 0.32
PPARD Q03181 7/20 0.32

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
SCHEMBL209783 0.77 NAALAD2 (0.38) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL12807254 0.71 THRB (0.43) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL12319731 0.70 ALDH1A1 (0.38) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL22768991 0.70 ALDH1A1 (0.46) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL13257110 0.70 THRB (0.38) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL19074470 0.70 S1PR1 (0.38) ALDH1A1MEN1KMT2AAKR1B1S1PR4
SCHEMBL18117575 0.70 MEN1 (0.35) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL28235302 0.69 NAALAD2 (0.45) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL11806205 0.67 ALDH1A1 (0.45) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL11802531 0.66 AKR1B1 (0.48) ALDH1A1MEN1KMT2AAKR1B1GPR84

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-102471553-B Fluorine-containing copolymer composition and method for producing same ASAHI GLASS CO.,LTD. (JP) 2016-02-10 CN disclosed