SCHEMBL27929682

SCHEMBL27929682

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

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
FFAR3 O14843 2/20 0.32
HDAC3 O15379 2/20 0.32
HDAC1 Q13547 2/20 0.32
HDAC2 Q92769 2/20 0.32
HDAC8 Q9BY41 2/20 0.32
TSHR P16473 1/20 0.31

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
SCHEMBL10803582 0.81
SCHEMBL11904887 0.79
SCHEMBL7054258 0.76
SCHEMBL4543208 0.72
SCHEMBL14343817 0.72 CES1 (0.43) CES2CES1FFAR3HDAC3HDAC1
SCHEMBL1349449 0.70 CES2 (0.46) CES2CES1TSHR
SCHEMBL10431979 0.68
SCHEMBL28069612 0.68 HDAC3 (0.48) CES2CES1FFAR3HDAC3HDAC1
SCHEMBL31303932 0.65 FFAR3 (0.50) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL11341426 0.65 CES1 (0.48) CES2CES1TSHR

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-103484490-B For the production of recombinant plasmid, genetic engineering bacterium, the Preparation Method And The Use of hexanodioic acid INSTITUTE OF PROCESS ENGINEERING, CHINESE ACADEMY OF SCIENCES (CN) 2015-10-28 CN disclosed
CN-103484490-A Recombinant plasmid and genetic engineering bacteria for producing adipic acid, and preparation methods and applications thereof INST PROCESS ENG CAS 2014-01-01 CN disclosed