SCHEMBL31498968

SCHEMBL31498968

C=C(CC(=O)CCC)CC(=O)CCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.43
CES1 P23141 3/20 0.43
HDAC3 O15379 4/20 0.42
HDAC1 Q13547 4/20 0.42
HDAC2 Q92769 4/20 0.42
HDAC8 Q9BY41 4/20 0.42
HDAC6 Q9UBN7 1/20 0.42
FFAR3 O14843 3/20 0.41
CTSD P07339 1/20 0.40
TSHR P16473 1/20 0.39
ALDH1A1 P00352 1/20 0.38
HAO1 Q9UJM8 1/20 0.37
CASP2 P42575 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 1/20 0.33
KDM6B O15054 1/20 0.33
KDM5C P41229 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
PHF8 Q9UPP1 1/20 0.33
KDM2A Q9Y2K7 1/20 0.33

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
SCHEMBL1701664 0.82 CES2 (0.53) CES2CES1HDAC3HDAC1HDAC2
SCHEMBL10935755 0.81
SCHEMBL24241969 0.80 PAOX (0.38) CES2CES1HDAC3HDAC1HDAC2
SCHEMBL5667473 0.79 CES2 (0.50) CES2CES1HDAC3HDAC1HDAC2
SCHEMBL29053185 0.79 CES2 (0.50) CES2CES1HDAC3HDAC1HDAC2
SCHEMBL3126473 0.79 CES2 (0.50) CES2CES1HDAC3HDAC1HDAC2
SCHEMBL11434918 0.79 CES2 (0.50) CES2CES1HDAC3HDAC1HDAC2
SCHEMBL20548488 0.77 TDP1 (0.53) FFAR3TSHRALDH1A1TDP1
SCHEMBL8101925 0.77 CES2 (0.47) CES2CES1HDAC3HDAC1HDAC2
Ethylene SCHEMBL27551619 0.76 HDAC3 (0.52) CES2CES1HDAC3HDAC1HDAC2

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-116018375-B Resin composition 三菱化学株式会社 2025-03-25 CN disclosed