SCHEMBL30003359

SCHEMBL30003359

CCc1cc(OC(=O)OC(C)C)c2ccccc2c1OC(=O)OC(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.41
TDP1 Q9NUW8 1/20 0.38
TSHR P16473 3/20 0.36
LMNA P02545 5/20 0.35
MAPT P10636 5/20 0.35
POLB P06746 2/20 0.35
GAA P10253 2/20 0.35
PRNP P04156 1/20 0.35
KDM4E B2RXH2 4/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 2/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
TACR3 P29371 1/20 0.33
ALOX15 P16050 1/20 0.33
GLA P06280 1/20 0.33
RECQL P46063 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL23271841 1.00 HTT (0.41) HTTTDP1TSHRLMNAMAPT
SCHEMBL23271918 0.87 HTT (0.44) HTTTSHRLMNAMAPTPOLB
SCHEMBL30004137 0.87 HTT (0.44) HTTTSHRLMNAMAPTPOLB
SCHEMBL20398662 0.84 TSHR (0.41) HTTTDP1TSHRLMNAMAPT
SCHEMBL31080914 0.84 TSHR (0.41) HTTTDP1TSHRLMNAMAPT
SCHEMBL9656391 0.84 L3MBTL1 (0.40) HTTTDP1TSHRLMNAGAA
SCHEMBL23271694 0.83 HTT (0.61) HTTTDP1TSHRLMNAMAPT
SCHEMBL23271828 0.83 HTT (0.47) HTTTSHRLMNAMAPTPOLB
SCHEMBL30004224 0.83 HTT (0.61) HTTTDP1TSHRLMNAMAPT
SCHEMBL30003099 0.83 HTT (0.47) HTTTSHRLMNAMAPTPOLB

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-110891980-B Radical polymerization control agent and radical polymerization control method 川崎化成工业株式会社 2022-09-30 CN disclosed