SCHEMBL28675478

SCHEMBL28675478

CC(C)C(=O)O.CCCC(=O)OC(=O)C(C)CC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
FFAR3 O14843 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
MAPT P10636 1/20 0.33
FOLH1 Q04609 2/20 0.32
NAALAD2 Q9Y3Q0 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
ATM Q13315 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
LMNA P02545 2/20 0.32
ALOX15 P16050 1/20 0.31
PAM P19021 2/20 0.31
ACE2 Q9BYF1 1/20 0.31
CA2 P00918 1/20 0.31
MAPK1 P28482 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
SCHEMBL248666 0.92 ALDH1A1 (0.58) ALDH1A1FFAR3HDAC3HDAC1HDAC2
SCHEMBL28437280 0.87 ALDH1A1 (0.58) ALDH1A1FFAR3HDAC3HDAC1HDAC2
SCHEMBL8332294 0.86 ALDH1A1 (0.47) ALDH1A1FFAR3HDAC3HDAC1HDAC2
SCHEMBL28561914 0.84 ALDH1A1 (0.71) ALDH1A1FFAR3HDAC3HDAC1HDAC2
SCHEMBL9708581 0.81 MAPT (0.46) ALDH1A1MAPTCYP3A4TSHRATM
SCHEMBL182125 0.80 ALDH1A1 (0.64) ALDH1A1FFAR3HDAC3HDAC1HDAC2
SCHEMBL28411527 0.79 LMNA (0.53) ALDH1A1MAPTCYP3A4TSHRATM
SCHEMBL27726135 0.79 ALDH1A1 (0.56) ALDH1A1FFAR3HDAC3HDAC1HDAC2
SCHEMBL28189036 0.79 ALDH1A1 (0.56) ALDH1A1FFAR3HDAC3HDAC1HDAC2
SCHEMBL28181878 0.78 ALDH1A1 (0.61) ALDH1A1FFAR3HDAC3HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113993844-B Method for producing diacyl peroxide 诺力昂化学品国际有限公司 2023-10-13 CN disclosed
CN-114127045-B Method for producing diacyl peroxide 诺力昂化学品国际有限公司 2023-10-13 CN disclosed
CN-114008019-B Method for producing diacyl peroxide 诺力昂化学品国际有限公司 2023-09-15 CN disclosed
CN-114008018-B Method for producing peroxyesters 诺力昂化学品国际有限公司 2023-09-15 CN disclosed
CN-113924282-B Process for separating carboxylic acid from aqueous side stream 诺力昂化学品国际有限公司 2023-09-12 CN disclosed
CN-116583496-A Process for separating carboxylic acid and co-producing alkali metal salt from aqueous side stream 诺力昂化学品国际有限公司 2023-08-11 CN disclosed
CN-114127045-A Process for the production of diacyl peroxides 诺力昂化学品国际有限公司 2022-03-01 CN disclosed
CN-114008018-A Process for the production of peroxyesters 诺力昂化学品国际有限公司 2022-02-01 CN disclosed
CN-114008019-A Process for the production of diacyl peroxides 诺力昂化学品国际有限公司 2022-02-01 CN disclosed
CN-113993844-A Process for the production of diacyl peroxides 诺力昂化学品国际有限公司 2022-01-28 CN disclosed
CN-113924282-A Process for separating carboxylic acids from aqueous sidestreams 诺力昂化学品国际有限公司 2022-01-11 CN disclosed