SCHEMBL27558141

SCHEMBL27558141

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.47
TSHR P16473 1/20 0.47
TP53 P04637 1/20 0.40
CHRM1 P11229 1/20 0.38
AKR1A1 P14550 1/20 0.38
CHRM3 P20309 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
ADRA1A P35348 1/20 0.38
HRH1 P35367 1/20 0.38
DRD3 P35462 1/20 0.38
SLC6A3 Q01959 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
CA2 P00918 1/20 0.37
MAPK1 P28482 1/20 0.37
FFAR3 O14843 1/20 0.35
RNPEP Q9H4A4 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL28330709 0.83 RNPEP (0.42) TDP1TSHRTP53CHRM1AKR1A1
Bicarbonate SCHEMBL8574704 0.81 TDP1 (0.61) TDP1TSHRCHRM1ADRA1AHDAC1
Charcoal, Activated SCHEMBL38658389 0.80
SCHEMBL6139393 0.78 RNPEP (0.37) TP53RNPEPALDH1A1SLC7A5
T-Butylacetic Acid SCHEMBL2593254 0.78 HMGCR (0.48) TDP1TSHRTP53CHRM1ADRA1A
Alcohol SCHEMBL6527782 0.78
Acetic Acid SCHEMBL28164603 0.78 TSHR (0.57) TDP1TSHRCHRM1ADRA1AHDAC1
Acetic Acid SCHEMBL3444362 0.78 TSHR (0.57) TDP1TSHRCHRM1ADRA1AHDAC1
SCHEMBL2531259 0.77 TP53 (0.61) TDP1TSHRTP53FFAR3RNPEP
SCHEMBL405938 0.77 TP53 (0.61) TDP1TSHRTP53FFAR3RNPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101679709-B Cyanoacrylate compositions containing core-shell rubber dispersions in (meth) acrylates HENKEL CORP 2012-06-06 CN disclosed
CN-101679709-A Cyanoacrylate compositions containing core-shell rubber dispersions in (meth) acrylates HENKEL CORP 2010-03-24 CN disclosed
CN-1340573-A Multi-layer structure conductive resin granule and anisotropic conductive adhesive made up by its use MITSUI TAKEDA CHEMICAL CO LTD (JP) 2002-03-20 CN disclosed
CN-1232844-A Powder coating composition TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1999-10-27 CN disclosed