Dodecanoate

Dodecanoate

SCHEMBL4454933

CCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCC(=O)[O-].c1ccc(C[Sn+2]Cc2ccccc2)cc1

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.51
HDAC4 P56524 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC10 Q969S8 1/20 0.51
HDAC11 Q96DB2 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
HDAC9 Q9UKV0 1/20 0.51
HDAC5 Q9UQL6 1/20 0.51
CES2 O00748 2/20 0.51
CES1 P23141 2/20 0.51
EPHX2 P34913 1/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
FABP3 P05413 7/20 0.47
CETP P11597 3/20 0.47

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
Stearic Acid SCHEMBL4454939 1.00 HDAC3 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
Adipic Acid SCHEMBL673647 0.90 HDAC1 (0.61) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL383930 0.88 EPHX2 (0.49) CES2CES1EPHX2MEN1KMT2A
SCHEMBL383932 0.88 EPHX2 (0.49) CES2CES1EPHX2MEN1KMT2A
SCHEMBL674459 0.87 HDAC3 (0.42) HDAC3HDAC4HDAC1HDAC7HDAC2
Dodecanoate SCHEMBL30363216 0.84 HDAC3 (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
Stearic Acid SCHEMBL11045268 0.81 HDAC3 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
Dodecanoate SCHEMBL673994 0.81 HDAC3 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
Octanoic Acid SCHEMBL443146 0.81 CES2 (0.54) CES2CES1EPHX2FABP3
Dodecanoate SCHEMBL4448269 0.81 CES2 (0.54) CES2CES1EPHX2FABP3

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3456746-B1 TERMINAL-MODIFIED CONJUGATED DIENE-BASED POLYMER, RUBBER COMPOSITION, AND RUBBER ARTICLE BRIDGESTONE CORP (JP) 2023-04-19 EP disclosed
WO-2022124058-A1 POLYMER-METAL COMPLEX, TIRE, AND POLYMER ARTICLE 株式会社ブリヂストン 2022-06-16 WO disclosed
EP-1958980-B1 THERMOPLASTIC ELASTOMER COMPOSITION, FOAM PRODUCT, AND PROCESS FOR PRODUCTION OF THE COMPOSITION OR FOAM PRODUCT JSR CORP (JP) 2012-10-31 EP disclosed
US-20090270525-A1 THERMOPLASTIC ELASTOMER COMPOSITION, FOAM PRODUCT, AND PROCESS FOR PRODUCTION OF THE COMPOSITION OR FOAM PRODUCT JSR CORPORATION (JP) 2009-10-29 US disclosed
EP-1958980-A1 THERMOPLASTIC ELASTOMER COMPOSITION, FOAM PRODUCT, AND PROCESS FOR PRODUCTION OF THE COMPOSITION OR FOAM PRODUCT JSR Corporation (JP) 2008-08-20 EP disclosed
EP-0387894-B1 Chain-extending agent for 4,4'-diphenyl methane diisocyanate prepolymers for casted polyurethane elastomers LONZA AG (CH) 1994-06-08 EP disclosed
EP-0387894-A2 Chain-extending agent for 4,4'-diphenyl methane diisocyanate prepolymers for casted polyurethane elastomers LONZA AG (CH) 1990-09-19 EP disclosed
EP-0090174-A1 Process for the reinforcement of edges and the closure of hems of textile materials BAYER AG (DE) 1983-10-05 EP disclosed
EP-0071142-A1 Process for glueing sheets BAYER AG (DE) 1983-02-09 EP disclosed