SCHEMBL28439734

SCHEMBL28439734

CC(C)(CCCCCN)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.61
ACACB O00763 1/20 0.59
ACACA Q13085 1/20 0.59
TBXAS1 P24557 2/20 0.45
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
PLG P00747 1/20 0.44
LMNA P02545 1/20 0.44
THRB P10828 1/20 0.44
ALOX15 P16050 1/20 0.44
SLC6A2 P23975 1/20 0.44
RECQL P46063 1/20 0.44
SLC6A3 Q01959 1/20 0.44
KMT2A Q03164 1/20 0.44
PAOX Q6QHF9 2/20 0.43
FDPS P14324 1/20 0.42
FFAR1 O14842 1/20 0.41
CPT2 P23786 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL9350070 1.00 ACLY (0.61) ACLYACACBACACATBXAS1MEN1
SCHEMBL10870768 1.00 ACLY (0.61) ACLYACACBACACATBXAS1MEN1
SCHEMBL10870280 1.00 ACLY (0.61) ACLYACACBACACATBXAS1MEN1
SCHEMBL10869894 1.00 ACLY (0.61) ACLYACACBACACATBXAS1MEN1
SCHEMBL9718212 0.98 ACLY (0.57) ACLYACACBACACATBXAS1MEN1
SCHEMBL10548846 0.93 ACLY (0.52) ACLYACACBACACAMEN1ALDH1A1
SCHEMBL2227906 0.91 ACLY (0.54) ACLYACACBACACATBXAS1LMNA
SCHEMBL11850850 0.89 ACLY (0.82) ACLYACACBACACATBXAS1MEN1
Hydrochloric Acid SCHEMBL3506267 0.88 ACLY (0.52) ACLYACACBACACATBXAS1LMNA
SCHEMBL1836313 0.88 ACLY (0.74) ACLYACACBACACATBXAS1ALDH1A1

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-107810215-B Water dispersible polymers for additive manufacturing 斯特塔思有限公司 2020-08-07 CN disclosed