SCHEMBL27809282

SCHEMBL27809282

C=CC(=O)OCCO.CCc1ccccc1CC

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.63
THRB P10828 5/20 0.53
HPGD P15428 1/20 0.49
THRA P10827 1/20 0.44
ALDH1A1 P00352 5/20 0.44
TP53 P04637 3/20 0.44
HIF1A Q16665 3/20 0.44
CYP3A4 P08684 3/20 0.44
HSD17B10 Q99714 1/20 0.44
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ACHE P22303 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL27809280 0.85 TSHR (0.66) TSHRTHRBHPGDTHRAALDH1A1
Toluene SCHEMBL27471815 0.83 TSHR (0.63) TSHRTHRBHPGDALDH1A1TP53
SCHEMBL1371361 0.83 THRB (0.47) TSHRTHRBHPGDTHRAALDH1A1
Benzene SCHEMBL11756759 0.82 TSHR (0.86) TSHRTHRBHPGDALDH1A1TP53
Alcohol SCHEMBL28276836 0.82 TSHR (0.86) TSHRTHRBHPGDALDH1A1TP53
SCHEMBL28222206 0.81 TSHR (0.66) TSHRTHRBHPGDTHRAALDH1A1
Styrene SCHEMBL10906129 0.80 TSHR (0.54) TSHRTHRBHPGDTHRAALDH1A1
Diphenylether SCHEMBL2453207 0.80 THRB (0.66) TSHRTHRBHPGDALDH1A1TP53
Phthalic Acid SCHEMBL301414 0.80 TSHR (0.63) TSHRTHRBHPGDALDH1A1TP53
Phthalic Acid SCHEMBL29430009 0.80 TSHR (0.63) TSHRTHRBHPGDALDH1A1TP53

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-101981510-A Detergent for removing plasma etching residues ANJI MICROELECTRONICS SHANGHAI 2011-02-23 CN disclosed