SCHEMBL29050640

SCHEMBL29050640

CC(=O)OC(=O)C(C1=CCCCCCCCC1)(C1=CCCCCCCCC1)C1=CCCCCCCCC1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
ESR1 P03372 1/20 0.31
PGR P06401 1/20 0.31
CHRM2 P08172 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
AR P10275 1/20 0.31
CHRM1 P11229 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A3 Q01959 1/20 0.31
GSTP1 P09211 1/20 0.31
CTSK P43235 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
Acetic Acid SCHEMBL1867421 0.77 HDAC4 (0.35) HDAC4HDAC2HDAC8HDAC6CTSK
Acetic Acid SCHEMBL29050641 0.77 HDAC4 (0.35) HDAC4HDAC2HDAC8HDAC6CTSK
SCHEMBL20599024 0.75 GSTP1 (0.33) HDAC4HDAC2HDAC8HDAC6GSTP1
SCHEMBL11138198 0.74 HDAC4 (0.38) HDAC4HDAC2HDAC8HDAC6CTSK
SCHEMBL634692 0.74 HDAC4 (0.38) HDAC4HDAC2HDAC8HDAC6CTSK
SCHEMBL153820 0.74 HDAC4 (0.38) HDAC4HDAC2HDAC8HDAC6CTSK
Ethyl Acetate SCHEMBL30319480 0.74 ALDH1A1 (0.40) GSTP1CTSKALDH1A1
SCHEMBL2222652 0.69 HDAC4 (0.37) HDAC4HDAC2HDAC8HDAC6GSTP1
SCHEMBL15114615 0.69 HDAC4 (0.38) HDAC4HDAC2HDAC8HDAC6SLC6A2
SCHEMBL15974182 0.69 HDAC4 (0.38) HDAC4HDAC2HDAC8HDAC6SLC6A2

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-116323883-A Composition and method for producing the same 联合利华知识产权控股有限公司 2023-06-23 CN disclosed