SCHEMBL9720948

SCHEMBL9720948

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 4/20 0.40
HDAC1 Q13547 4/20 0.40
HDAC2 Q92769 4/20 0.40
HDAC8 Q9BY41 4/20 0.40
FFAR3 O14843 3/20 0.40
TSHR P16473 4/20 0.39
FNTA P49354 2/20 0.36
FNTB P49356 2/20 0.36
THRB P10828 1/20 0.36
PGGT1B P53609 1/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
ALDH1A1 P00352 4/20 0.32
AKR1B1 P15121 1/20 0.31
TP53 P04637 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
PPARG P37231 5/20 0.30
PPARD Q03181 5/20 0.30
PPARA Q07869 5/20 0.30
HDAC11 Q96DB2 4/20 0.30

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
SCHEMBL9709459 1.00 HDAC3 (0.40) HDAC3HDAC1HDAC2HDAC8FFAR3
SCHEMBL9720981 0.87 FNTA (0.47) TSHRFNTAFNTBTHRBPGGT1B
SCHEMBL9709237 0.87 FNTA (0.47) TSHRFNTAFNTBTHRBPGGT1B
SCHEMBL9709245 0.81 FFAR3 (0.36) FFAR3FNTAFNTBTHRBPGGT1B
SCHEMBL9720943 0.81 FFAR3 (0.36) FFAR3FNTAFNTBTHRBPGGT1B
SCHEMBL554603 0.77 HDAC3 (0.56) HDAC3HDAC1HDAC2HDAC8FFAR3
SCHEMBL554602 0.77 HDAC3 (0.56) HDAC3HDAC1HDAC2HDAC8FFAR3
SCHEMBL184432 0.77 HDAC3 (0.56) HDAC3HDAC1HDAC2HDAC8FFAR3
SCHEMBL9709121 0.77
SCHEMBL9709406 0.77 FFAR3 (0.36) HDAC3HDAC1HDAC2HDAC8FFAR3

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
EP-0192997-B1 METHOD FOR MODIFYING POLYFUMARIC ACID DIESTER NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1992-04-29 EP claimed