SCHEMBL7798166

SCHEMBL7798166

C#CCc1cc(C)c(COC(=O)C2C(/C=C/C(=O)OC)C2(C)C)c(C)c1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 3/20 0.35
ADRA2A P08913 1/20 0.35
CNR1 P21554 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
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
TSHR P16473 1/20 0.32
OPRM1 P35372 1/20 0.30
OPRD1 P41143 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
SCHEMBL7798167 1.00 TDP1 (0.36) TDP1MEN1KMT2ALMNAADRA2A
SCHEMBL7798177 0.85 TDP1 (0.39) TDP1MEN1KMT2ALMNAADRA2A
SCHEMBL6899322 0.82 TDP1 (0.47) TDP1MEN1KMT2ALMNAADRA2A
SCHEMBL8090348 0.80 LMNA (0.36) TDP1LMNAADRA2ACNR1ATM
SCHEMBL8090345 0.80 LMNA (0.36) TDP1LMNAADRA2ACNR1ATM
SCHEMBL8082120 0.79 CYP1A2 (0.37) TDP1MEN1KMT2ALMNAADRA2A
SCHEMBL8082118 0.79 CYP1A2 (0.37) TDP1MEN1KMT2ALMNAADRA2A
SCHEMBL8089069 0.78 TDP1 (0.33) TDP1MEN1KMT2ALMNAADRA2A
SCHEMBL8090306 0.78 TDP1 (0.33) TDP1MEN1KMT2ALMNAADRA2A
SCHEMBL7800543 0.78 LMNA (0.40) TDP1MEN1KMT2ALMNAADRA2A

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
EP-0754674-B1 NOVEL CARBOXYLIC ESTER DERIVATIVES, PROCESS FOR PRODUCING THE SAME, AND INSECTICIDE OR INSECTIFUGE CONTAINING THE SAME DAINIPPON JOCHUGIKU KK (JP) 2001-12-19 EP disclosed
US-6107339-A Derivative of ester of carboxylic acid, and insecticide and insect proofing agent containing the same DAINIHON JOCHUGIKU CO., LTD. (JP) 2000-08-22 US disclosed
EP-0754674-A1 NOVEL CARBOXYLIC ESTER DERIVATIVES, PROCESS FOR PRODUCING THE SAME, AND INSECTICIDE OR INSECTIFUGE CONTAINING THE SAME DAINIHON JOCHUGIKU CO., LTD. (JP) 1997-01-22 EP disclosed