SCHEMBL28065698

SCHEMBL28065698

CCCC(CC)=C(CC)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 4/20 0.43
HDAC3 O15379 4/20 0.43
HDAC1 Q13547 4/20 0.43
HDAC2 Q92769 4/20 0.43
HDAC8 Q9BY41 4/20 0.43
GRIK1 P39086 1/20 0.42
GRIA4 P48058 1/20 0.42
GRIK3 Q13003 1/20 0.42
GRIK5 Q16478 1/20 0.42
ALDH1A1 P00352 3/20 0.40
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
FNTA P49354 2/20 0.39
FNTB P49356 2/20 0.39
THRB P10828 1/20 0.39
PGGT1B P53609 1/20 0.39
TSHR P16473 4/20 0.36
AKR1B1 P15121 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
PPARG P37231 5/20 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
SCHEMBL28589026 0.86 THRB (0.45) GRIK1GRIA4GRIK3GRIK5ALDH1A1
SCHEMBL7755782 0.84 GRIK1 (0.54) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL7871454 0.82 FNTA (0.57) ALDH1A1CES2CES1FNTAFNTB
SCHEMBL9747819 0.82 GRIK1 (0.48) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL7107841 0.79 FFAR3 (0.48) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL31195898 0.79 HDAC3 (0.48) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL5611368 0.79 FFAR3 (0.48) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL5611361 0.79 FFAR3 (0.48) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL28730259 0.78 THRB (0.47) ALDH1A1CES2CES1FNTAFNTB
SCHEMBL8599484 0.78 FNTA (0.52) ALDH1A1CES2CES1FNTAFNTB

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
CN-114424365-A Cathode for secondary battery and cathode slurry 广东省皓智科技有限公司 2022-04-29 CN claimed
CN-105585601-A Anti-aging skin external composition and preparation method thereof HAYASHIBARA CO 2016-05-18 CN disclosed