SCHEMBL8150336

SCHEMBL8150336

C#CCc1ccc(COC(=O)C2C(C=C(C)C(=O)OC)C2(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.44
LMNA P02545 3/20 0.42
ADRA2A P08913 1/20 0.42
CNR1 P21554 1/20 0.42
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
TRPV1 Q8NER1 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TSHR P16473 3/20 0.33
FKBP1A P62942 1/20 0.31
NPSR1 Q6W5P4 1/20 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
SCHEMBL7798177 0.82 TDP1 (0.39) TDP1LMNAADRA2ACNR1ATM
SCHEMBL7800543 0.77 LMNA (0.40) TDP1LMNAADRA2ACNR1ATM
SCHEMBL7800544 0.77 LMNA (0.40) TDP1LMNAADRA2ACNR1ATM
SCHEMBL6669213 0.75 TDP1 (0.61) TDP1LMNAADRA2ACNR1ATM
SCHEMBL296085 0.75 TDP1 (0.79) TDP1LMNAADRA2ACNR1ATM
SCHEMBL296084 0.75 TDP1 (0.79) TDP1LMNAADRA2ACNR1ATM
SCHEMBL296083 0.75 TDP1 (0.79) TDP1LMNAADRA2ACNR1ATM
SCHEMBL294118 0.74 LMNA (0.69) TDP1LMNAADRA2ACNR1ATM
SCHEMBL17792958 0.74 LMNA (0.69) TDP1LMNAADRA2ACNR1ATM
SCHEMBL294117 0.74 LMNA (0.69) TDP1LMNAADRA2ACNR1ATM

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
JP-2000072605-A INSECTICIDAL COMPOSITION DAINIPPON JOCHUGIKU CO LTD 2000-03-07 JP disclosed