SCHEMBL27792196

SCHEMBL27792196

CC(=O)C(C)(OC(C)C)C(=O)OC(C)C.[AlH3]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
USP2 O75604 1/20 0.31
ABCB11 O95342 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
ADRB3 P13945 1/20 0.31
HPGD P15428 1/20 0.31
CNR1 P21554 1/20 0.31
ACHE P22303 1/20 0.31
SLC6A2 P23975 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
MAPK1 P28482 1/20 0.31
CYP2C19 P33261 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
SCHEMBL27472911 0.98 TSHR (0.42) TSHRMEN1KMT2AUSP2ABCB11
SCHEMBL28003405 0.96 TSHR (0.41) TSHRMEN1KMT2AUSP2ABCB11
SCHEMBL28185646 0.78 TSHR (0.30) TSHR
SCHEMBL28774686 0.74 TSHR (0.44) TSHRMEN1KMT2A
SCHEMBL23581540 0.73 TSHR (0.42) TSHRMEN1KMT2AUSP2ABCB11
SCHEMBL29104398 0.72 TSHR (0.42) TSHRMEN1KMT2AUSP2ABCB11
SCHEMBL27770500 0.72 TSHR (0.42) TSHRMEN1KMT2AUSP2ABCB11
SCHEMBL17156312 0.72 TSHR (0.34) TSHRLMNA
Hydrochloric Acid SCHEMBL29090138 0.71 TSHR (0.46) TSHRMEN1KMT2AUSP2ABCB11
SCHEMBL26635837 0.71 TSHR (0.40) TSHRMEN1KMT2AUSP2ABCB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109069368-A HYDROPHILIC SILANES 美国陶氏有机硅公司 2018-12-21 CN disclosed
CN-101778885-B Curable compositions composed of silanes with two hydrolyzable groups HENKEL AG & CO KGAA 2013-07-10 CN disclosed
CN-101778885-A Curable compositions composed of silanes with two hydrolyzable groups HENKEL AG & CO KGAA 2010-07-14 CN disclosed