SCHEMBL10908930

SCHEMBL10908930

CC1(C)C(C=C(Cl)Cl)C1(C(=O)OCc1cccc(Oc2ccccc2)c1)C(=O)OCc1cccc(Oc2ccccc2)c1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.64
LMNA P02545 1/20 0.64
ADRA2A P08913 1/20 0.64
CNR1 P21554 1/20 0.64
ATM Q13315 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
MMP1 P03956 2/20 0.45
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
MMP12 P39900 1/20 0.44
FFAR1 O14842 5/20 0.42
CETP P11597 1/20 0.42
FFAR4 Q5NUL3 4/20 0.41
FKBP1A P62942 2/20 0.41
ALDH1A1 P00352 2/20 0.40
CCR8 P51685 1/20 0.39

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
SCHEMBL10908934 0.96 TDP1 (0.61) TDP1LMNAADRA2ACNR1ATM
SCHEMBL11623713 0.89 TDP1 (0.64) TDP1LMNAADRA2ACNR1ATM
SCHEMBL5426518 0.84 TDP1 (0.58) TDP1LMNAADRA2ACNR1ATM
SCHEMBL9510812 0.84 TDP1 (0.58) TDP1LMNAADRA2ACNR1ATM
SCHEMBL5397492 0.84 TDP1 (0.58) TDP1LMNAADRA2ACNR1ATM
Permethrin SCHEMBL24089572 0.78 TDP1 (1.00) TDP1LMNAADRA2ACNR1ATM
Permethrin SCHEMBL26543 0.78 TDP1 (1.00) TDP1LMNAADRA2ACNR1ATM
Permethrin SCHEMBL9754130 0.78 TDP1 (1.00) TDP1LMNAADRA2ACNR1ATM
Permethrin SCHEMBL9665188 0.78 TDP1 (1.00) TDP1LMNAADRA2ACNR1ATM
Permethrin SCHEMBL121233 0.78 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-4613617-A Synergistic insecticidal compositions containing dione esters UNION CARBIDE CORPORATION (US) 1986-09-23 US disclosed