SCHEMBL28078262

SCHEMBL28078262

CCCC(CCO)C(=O)OCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC7 Q8WUI4 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
HDAC9 Q9UKV0 2/20 0.44
HDAC5 Q9UQL6 2/20 0.44
CHRM1 P11229 2/20 0.44
CHRM3 P20309 2/20 0.44
ADRA1A P35348 2/20 0.44
AKR1A1 P14550 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
HRH1 P35367 1/20 0.44
DRD3 P35462 1/20 0.44
SLC6A3 Q01959 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC10 Q969S8 1/20 0.44

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
SCHEMBL17523695 1.00 HDAC1 (0.44) HDAC1HDAC2HDAC7HDAC8HDAC6
SCHEMBL4726173 0.91 HDAC1 (0.52) HDAC1HDAC2HDAC7HDAC8HDAC6
SCHEMBL5169717 0.89 CPB2 (0.47) HDAC1HDAC2HDAC7HDAC8HDAC6
Acetic Acid SCHEMBL1820606 0.87 ALDH1A1 (0.42) HDAC1HDAC2CHRM1CHRM3ADRA1A
Acetic Acid SCHEMBL3158726 0.87 ALDH1A1 (0.42) HDAC1HDAC2CHRM1CHRM3ADRA1A
SCHEMBL27813936 0.84 HDAC1 (0.46) HDAC1HDAC2HDAC7HDAC8HDAC6
SCHEMBL20704277 0.84 CA2 (0.45) CPB2CA1CA2ALDH1A1MEN1
SCHEMBL1405922 0.84 CPB2 (0.42) CPB2ALDH1A1MEN1NPC1KMT2A
SCHEMBL1655783 0.84 CA2 (0.45) CPB2CA1CA2ALDH1A1MEN1
Butyl Alcohol SCHEMBL6183785 0.84 CPB2 (0.44) HDAC1HDAC2CHRM1CHRM3ADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104411739-B Aromatics dispersant composition 路博润高级材料公司 2017-03-08 CN disclosed
CN-106232674-A Dispersion resin 赢创德固赛有限公司 2016-12-14 CN disclosed
CN-103946319-B Dispersant composition 路博润高级材料公司 2016-12-07 CN disclosed
CN-105899578-A Aromatic dispersant composition 路博润先进材料公司 2016-08-24 CN disclosed
CN-105874019-A Dispersants with multiple aromatic imide anchor groups 路博润先进材料公司 2016-08-17 CN disclosed
CN-105849210-A Dispersants having multiple aromatic imide anchoring groups 路博润先进材料公司 2016-08-10 CN disclosed
CN-105849211-A Acrylic dispersants with fused aromatic imide anchor groups 路博润先进材料公司 2016-08-10 CN disclosed
CN-105683249-A Non-fused aromatic dispersant composition 路博润先进材料公司 2016-06-15 CN disclosed