SCHEMBL9309364

SCHEMBL9309364

CCC/C(C(=O)O)=C(/O)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 4/20 0.48
HDAC1 Q13547 4/20 0.48
HDAC2 Q92769 4/20 0.48
HDAC8 Q9BY41 4/20 0.48
FFAR3 O14843 3/20 0.48
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
THRB P10828 1/20 0.41
FNTA P49354 1/20 0.41
FNTB P49356 1/20 0.41
PGGT1B P53609 1/20 0.41
TSHR P16473 5/20 0.39
ALDH1A1 P00352 3/20 0.38
AKR1B1 P15121 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
PPARG P37231 6/20 0.35
PPARD Q03181 6/20 0.35
PPARA Q07869 6/20 0.35
GPR84 Q9NQS5 5/20 0.35
HDAC11 Q96DB2 5/20 0.35

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
SCHEMBL8951256 1.00 HDAC3 (0.48) HDAC3HDAC1HDAC2HDAC8FFAR3
SCHEMBL554602 0.85 HDAC3 (0.56) HDAC3HDAC1HDAC2HDAC8FFAR3
SCHEMBL184432 0.85 HDAC3 (0.56) HDAC3HDAC1HDAC2HDAC8FFAR3
SCHEMBL554603 0.85 HDAC3 (0.56) HDAC3HDAC1HDAC2HDAC8FFAR3
SCHEMBL9495705 0.84 FNTA (0.54) CES2CES1THRBFNTAFNTB
SCHEMBL5071807 0.84 FNTA (0.54) CES2CES1THRBFNTAFNTB
SCHEMBL5071799 0.84 FNTA (0.54) CES2CES1THRBFNTAFNTB
SCHEMBL305222 0.82 HDAC3 (0.53) HDAC3HDAC1HDAC2HDAC8FFAR3
SCHEMBL305220 0.82 HDAC3 (0.53) HDAC3HDAC1HDAC2HDAC8FFAR3
SCHEMBL29003153 0.80 FNTA (0.67) CES2CES1THRBFNTAFNTB

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-5362819-A Polyester-flexible polymer block copolymers and mixtures thereof GENCORP INC. (US) 1994-11-08 US claimed