SCHEMBL28790909

SCHEMBL28790909

CC(=CC(C)O)C(=O)OC(C)C

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
HCAR2 Q8TDS4 1/20 0.37
ADRA1A P35348 1/20 0.36
PDE4D Q08499 1/20 0.36
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CA12 O43570 3/20 0.33
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33
CA7 P43166 3/20 0.33
CA9 Q16790 3/20 0.33
CA14 Q9ULX7 3/20 0.33
AKR1B10 O60218 1/20 0.32
AKR1B1 P15121 1/20 0.32
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL10687993 0.83 TSHR (0.48) TSHRHCAR2ADRA1APDE4DGAA
SCHEMBL27542945 0.81 ALDH1A1 (0.39) TSHRHCAR2SMN1; SMN2
SCHEMBL666918 0.80 TSHR (0.50) TSHRHCAR2ADRA1APDE4DGAA
SCHEMBL13613127 0.80 TSHR (0.50) TSHRHCAR2ADRA1APDE4DGAA
SCHEMBL1532594 0.80 TSHR (0.50) TSHRHCAR2ADRA1APDE4DGAA
SCHEMBL28313743 0.79 TSHR (0.44) TSHRHCAR2ADRA1APDE4DGAA
SCHEMBL2598286 0.78 TSHR (0.48) TSHRHCAR2ADRA1APDE4DGAA
SCHEMBL3338061 0.78 TSHR (0.48) TSHRHCAR2ADRA1APDE4DGAA
SCHEMBL448478 0.78 TSHR (0.48) TSHRHCAR2ADRA1APDE4DGAA
SCHEMBL27952954 0.77 TSHR (0.42) TSHRHCAR2ADRA1APDE4DGAA

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