SCHEMBL11072467

SCHEMBL11072467

CC(C)=CC1C(C(=O)OCc2cccc(Cc3ccccc3)c2)C1(C)C

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.76
LMNA P02545 4/20 0.63
ADRA2A P08913 1/20 0.63
CNR1 P21554 1/20 0.63
ATM Q13315 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
CYP1A2 P05177 3/20 0.49
CYP2C19 P33261 3/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
TSHR P16473 4/20 0.46
TRPV1 Q8NER1 1/20 0.40
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
IDH1 O75874 1/20 0.36
ELANE P08246 1/20 0.35

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
SCHEMBL11624273 0.91 TDP1 (0.76) TDP1LMNAADRA2ACNR1ATM
SCHEMBL523193 0.89 TDP1 (0.76) TDP1LMNAADRA2ACNR1ATM
SCHEMBL10983065 0.88 TDP1 (0.76) TDP1LMNAADRA2ACNR1ATM
Phenothrin SCHEMBL8649333 0.86 TDP1 (1.00) TDP1LMNAADRA2ACNR1ATM
Phenothrin SCHEMBL2963269 0.86 TDP1 (1.00) TDP1LMNAADRA2ACNR1ATM
Phenothrin SCHEMBL24119149 0.86 TDP1 (1.00) TDP1LMNAADRA2ACNR1ATM
Phenothrin SCHEMBL74649 0.86 TDP1 (1.00) TDP1LMNAADRA2ACNR1ATM
Phenothrin SCHEMBL13062899 0.86 TDP1 (1.00) TDP1LMNAADRA2ACNR1ATM
Phenothrin SCHEMBL13062903 0.86 TDP1 (1.00) TDP1LMNAADRA2ACNR1ATM
Phenothrin SCHEMBL31558671 0.86 TDP1 (1.00) 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
US-4457940-A Carboxylic acid ester derivatives, process for manufacturing said derivatives, insecticides and acaricides containing said derivatives, and method for killing insects and acarina by treating therewith DAINIPPON JOCHUGIKU KABUSHIKI KAISHA (JP) 1984-07-03 US disclosed