SCHEMBL28850723

SCHEMBL28850723

C=C(C)C(=O)OCC(CCCC)OCCCC

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 6/20 0.51
▸ THRB P10828 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.39
▸ TDP1 Q9NUW8 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ APEX1 P27695 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ HPGD P15428 1/20 0.35
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ LPAR1 Q92633 2/20 0.34
▸ LPAR3 Q9UBY5 2/20 0.34
▸ PLA2G2C Q5R387 1/20 0.34
▸ PRKCA P17252 2/20 0.33
▸ HCAR2 Q8TDS4 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
SCHEMBL17100041 0.91 TSHR (0.61) TSHRTHRBALDH1A1TDP1POLB
SCHEMBL8740819 0.88 TSHR (0.51) TSHRTHRBALDH1A1TDP1POLB
SCHEMBL730445 0.84 TSHR (0.50) TSHRTHRBALDH1A1TDP1CA1
SCHEMBL27459942 0.83 TSHR (0.58) TSHRTHRBALDH1A1TDP1POLB
SCHEMBL16328964 0.82 TSHR (0.50) TSHRTHRBALDH1A1TDP1POLB
SCHEMBL28175611 0.81 TSHR (0.56) TSHRTHRBALDH1A1TDP1POLB
SCHEMBL8849932 0.81 TSHR (0.59) TSHRTHRBALDH1A1TDP1POLB
SCHEMBL13649706 0.81 TSHR (0.54) TSHRTHRBALDH1A1TDP1POLB
SCHEMBL5078251 0.80 TSHR (0.46) TSHRTHRBALDH1A1TDP1CA1
SCHEMBL15752948 0.80 TSHR (0.46) TSHRTHRBALDH1A1TDP1CA1

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-107163865-A Adhesive film, the optical element comprising it and the optical display comprising it 三星SDI株式会社 2017-09-15 — — CN disclosed
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