SCHEMBL11697174

SCHEMBL11697174

C=C(CC)C(=O)OCCC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.38
TSHR P16473 6/20 0.37
FFAR3 O14843 2/20 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 3/20 0.33
AKR1B1 P15121 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
GPR84 Q9NQS5 7/20 0.32
PPARG P37231 6/20 0.32
PPARD Q03181 6/20 0.32
PPARA Q07869 6/20 0.32
HDAC11 Q96DB2 5/20 0.32
TLR2 O60603 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
FABP4 P15090 2/20 0.32
PTPN1 P18031 2/20 0.32
SLC22A6 Q4U2R8 1/20 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
SCHEMBL11701319 0.86 FFAR3 (0.46) THRBTSHRFFAR3HDAC3HDAC1
SCHEMBL8771858 0.86 THRB (0.37) THRBTSHRALDH1A1
SCHEMBL57345 0.84 THRB (0.50) THRBTSHRFFAR3ALDH1A1TDP1
Succinic Acid SCHEMBL3872447 0.83 ALDH1A1 (0.44) THRBTSHRFFAR3HDAC3HDAC1
SCHEMBL11697450 0.82 TSHR (0.46) TSHRFFAR3HDAC3HDAC1HDAC2
Succinic Acid SCHEMBL27870044 0.82 TSHR (0.59) TSHRALDH1A1AKR1B1GPR84PPARG
SCHEMBL32679452 0.81 ALOX15 (0.39) THRBTSHRALDH1A1SLC22A6ALOX15
Myristic Acid SCHEMBL27900820 0.81 TSHR (0.57) TSHRALDH1A1AKR1B1GPR84PPARG
Decanoic Acid SCHEMBL8194069 0.81 TSHR (0.57) TSHRALDH1A1AKR1B1GPR84PPARG
SCHEMBL3478021 0.80 TSHR (0.45) THRBTSHRALDH1A1TDP1ESR1

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
US-4065423-A Paper coating latex compositions containing copolymers of monovinylidene aromatic monomer, aliphatic conjugated diene and an aryloyloxycarboxylic acid monomer UNIROYAL, INC. (US) 1977-12-27 US disclosed