SCHEMBL8624463

SCHEMBL8624463

CC(C)=CC1C(C(=O)OCc2ccccc2Oc2ccccc2)C1(C)C

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.68
LMNA P02545 3/20 0.56
ADRA2A P08913 1/20 0.56
CNR1 P21554 1/20 0.56
ATM Q13315 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
CYP1A2 P05177 3/20 0.51
CYP2C19 P33261 3/20 0.51
TSHR P16473 2/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
ALDH1A1 P00352 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
FFAR1 O14842 1/20 0.40
FFAR4 Q5NUL3 5/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
RIPK1 Q13546 1/20 0.37

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
SCHEMBL9246156 0.88 TDP1 (0.62) TDP1LMNAADRA2ACNR1ATM
SCHEMBL6054983 0.84 TDP1 (0.81) TDP1LMNAADRA2ACNR1ATM
SCHEMBL4401734 0.83 TDP1 (0.60) TDP1LMNAADRA2ACNR1ATM
SCHEMBL11670221 0.82 LMNA (0.59) TDP1LMNAADRA2ACNR1ATM
SCHEMBL7751255 0.82 LMNA (0.65) TDP1LMNAADRA2ACNR1ATM
Phenothrin SCHEMBL24119149 0.81 TDP1 (1.00) TDP1LMNAADRA2ACNR1ATM
Phenothrin SCHEMBL8649333 0.81 TDP1 (1.00) TDP1LMNAADRA2ACNR1ATM
Phenothrin SCHEMBL13062899 0.81 TDP1 (1.00) TDP1LMNAADRA2ACNR1ATM
Phenothrin SCHEMBL13062903 0.81 TDP1 (1.00) TDP1LMNAADRA2ACNR1ATM
Phenothrin SCHEMBL2963269 0.81 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-10167908-A None JP disclosed
JP-10298015-A None JP disclosed
JP-H10298015-A ACARICIDAL SHEET SUMITOMO CHEM CO LTD 1998-11-10 JP disclosed
JP-H10167908-A INSECT PROOF SHEET SUMITOMO CHEM CO LTD 1998-06-23 JP disclosed