SCHEMBL8090345

SCHEMBL8090345

C#CCc1cc(COC(=O)C2C(/C=C/C(=O)OC)C2(C)C)co1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
ADRA2A P08913 1/20 0.36
CNR1 P21554 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL8090348 1.00 LMNA (0.36) LMNATDP1ADRA2ACNR1ATM
SCHEMBL1921590 0.85 TDP1 (0.51) LMNATDP1ADRA2ACNR1ATM
SCHEMBL7798177 0.83 TDP1 (0.39) LMNATDP1ADRA2ACNR1ATM
SCHEMBL8089069 0.82 TDP1 (0.33) LMNATDP1ADRA2ACNR1ATM
SCHEMBL8090306 0.82 TDP1 (0.33) LMNATDP1ADRA2ACNR1ATM
SCHEMBL8082120 0.81 CYP1A2 (0.37) LMNATDP1ADRA2ACNR1ATM
SCHEMBL8082118 0.81 CYP1A2 (0.37) LMNATDP1ADRA2ACNR1ATM
SCHEMBL7798166 0.80 TDP1 (0.36) LMNATDP1ADRA2ACNR1ATM
SCHEMBL7798167 0.80 TDP1 (0.36) LMNATDP1ADRA2ACNR1ATM
SCHEMBL9184747 0.77 ALDH1A1 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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