SCHEMBL29104409

SCHEMBL29104409

CC(C)(C)OC(=O)OC(C)(C)C.CC(C)COC(=O)OCC(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
NFKB1 P19838 1/20 0.40
PTGS1 P23219 1/20 0.40
APEX1 P27695 1/20 0.40
THPO P40225 1/20 0.40
PMP22 Q01453 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 2/20 0.38
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
HDAC6 Q9UBN7 2/20 0.35
MAPK1 P28482 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33

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
SCHEMBL6366841 0.93 TSHR (0.43) TSHRMEN1LMNACYP3A4CYP2C9
SCHEMBL11986237 0.83 CA1 (0.33) TSHRMEN1LMNACYP3A4CYP2C9
SCHEMBL37351 0.83 TSHR (0.54) TSHRMEN1LMNACYP3A4CYP2C9
SCHEMBL25435787 0.83 TSHR (0.54) TSHRMEN1LMNACYP3A4CYP2C9
Ammonia Solution, Strong SCHEMBL9998248 0.81 TSHR (0.52) TSHRMEN1LMNACYP3A4CYP2C9
SCHEMBL11986239 0.79 CA1 (0.33) TSHRCA1CA2CA7HDAC6
SCHEMBL1079841 0.79 RAB9A (0.34) TSHRMEN1LMNACYP3A4CYP2C9
SCHEMBL2086713 0.78 TSHR (0.52) TSHRTDP1ALDH1A1CA1CA2
SCHEMBL12604848 0.78 MAPK1 (0.48) TSHRCA1CA2CA7HDAC6
SCHEMBL18856269 0.78 CA1 (0.35) MEN1KMT2ACA1CA2CA7

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-117043978-A Primer for electrode of electric storage device, primer-forming composition, electrode for electric storage device, and secondary battery AGC株式会社 2023-11-10 CN disclosed