SCHEMBL5339023

SCHEMBL5339023

C=CC(=O)OC(C)O.C=Cc1ccc(S(=O)(=O)OCC)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.40
TAS1R3 Q7RTX0 2/20 0.34
TAS1R1 Q7RTX1 2/20 0.34
MCL1 Q07820 1/20 0.34
GAA P10253 3/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
F13A1 P00488 1/20 0.32
TGM2 P21980 1/20 0.32
TGM1 P22735 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
THRB P10828 1/20 0.31
POLB P06746 1/20 0.31
PTPN1 P18031 2/20 0.31

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
SCHEMBL313392 0.83 TDP1 (0.50) TDP1TAS1R3TAS1R1MCL1GAA
SCHEMBL28933558 0.82 TDP1 (0.48) TDP1TAS1R3TAS1R1MCL1GAA
SCHEMBL5346974 0.79 MCL1 (0.33) TDP1MCL1GAATHRB
SCHEMBL8846474 0.73 TDP1 (0.46) TDP1TAS1R3TAS1R1ALDH1A1SMN1; SMN2
SCHEMBL4903485 0.71 TDP1 (0.47) TDP1TAS1R3TAS1R1MCL1GAA
Ether SCHEMBL28322560 0.70 TSHR (0.44) ALDH1A1CYP3A4SMN1; SMN2THRBTSHR
SCHEMBL6115133 0.70 TDP1 (0.53) TDP1MCL1ALDH1A1SMN1; SMN2PTPN1
SCHEMBL27809284 0.70 THRB (0.44) ALDH1A1CYP1A2CYP2D6THRBPOLB
SCHEMBL7589721 0.70 TDP1 (0.50) TDP1ALDH1A1SMN1; SMN2PTPN1TSHR
Alcohol SCHEMBL2516796 0.70 TSHR (0.47) ALDH1A1CYP3A4SMN1; SMN2THRBTSHR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7238462-B2 Undercoating material for wiring, embedded material, and wiring formation method TOKYO OHKA KOGYO CO., LTD. (JP) 2007-07-03 US disclosed
US-20060141693-A1 Semiconductor multilayer interconnection forming method TOKYO OHKA KOGYO CO., LTD. (JP) 2006-06-29 US disclosed
US-20050074695-A1 Undercoating material for wiring, embedded material, and wiring formation method TOKYO OHKA KOGYO CO., LTD. (JP) 2005-04-07 US disclosed