SCHEMBL8304052

SCHEMBL8304052

CC1(C)[C@H](C(=O)OCc2cccc(Oc3ccccc3)c2)[C@@H]1C=C(Br)Br

nearest known ligand 0.82

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.82
LMNA P02545 1/20 0.82
ADRA2A P08913 1/20 0.82
CNR1 P21554 1/20 0.82
ATM Q13315 1/20 0.82
L3MBTL1 Q9Y468 1/20 0.82
ALDH1A1 P00352 1/20 0.48
FKBP1A P62942 3/20 0.44
MMP1 P03956 2/20 0.44
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
MMP12 P39900 1/20 0.43
CETP P11597 1/20 0.41
FFAR4 Q5NUL3 6/20 0.41
FFAR1 O14842 4/20 0.41
CCR8 P51685 1/20 0.41

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
SCHEMBL9862144 1.00 TDP1 (0.82) TDP1LMNAADRA2ACNR1ATM
SCHEMBL9558539 1.00 TDP1 (0.82) TDP1LMNAADRA2ACNR1ATM
SCHEMBL11302873 0.92 TDP1 (0.73) TDP1LMNAADRA2ACNR1ATM
SCHEMBL11331126 0.91 TDP1 (0.77) TDP1LMNAADRA2ACNR1ATM
SCHEMBL11331132 0.91 TDP1 (0.77) TDP1LMNAADRA2ACNR1ATM
SCHEMBL11328554 0.91 TDP1 (0.77) TDP1LMNAADRA2ACNR1ATM
SCHEMBL4991907 0.90 TDP1 (0.84) TDP1LMNAADRA2ACNR1ATM
SCHEMBL1073323 0.90 TDP1 (0.84) TDP1LMNAADRA2ACNR1ATM
SCHEMBL1073320 0.90 TDP1 (0.84) TDP1LMNAADRA2ACNR1ATM
Permethrin SCHEMBL24089572 0.90 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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0555388-B1 INSECTICIDAL, ACARICIDAL AND FUNGICIDAL AMINOPYRIMIDINES DU PONT (US) 1999-01-27 EP disclosed
EP-0513046-B1 ARTHROPODICIDAL PYRAZOLINES, PYRAZOLIDINES AND HYDRAZINES DU PONT (US) 1997-07-09 EP disclosed
EP-0781768-A1 Arthropodicidal anilides E.I. DU PONT DE NEMOURS AND COMPANY (US) 1997-07-02 EP disclosed
EP-0530264-B1 ARTHROPODICIDAL TETRAHYDROPYRIDAZINES DU PONT (US) 1996-10-23 EP disclosed
EP-0565574-B1 ARTHROPODICIDAL CARBOXANILIDES DU PONT (US) 1995-08-02 EP disclosed
EP-0365155-B1 N-sulfenylated and N-acylated pyrazolines DU PONT (US) 1995-05-10 EP disclosed
EP-0286346-B1 Insecticidal substituted indazoles DU PONT (US) 1994-04-06 EP disclosed
EP-0377304-B1 Substituted semicarbazone arthropodicides DU PONT (US) 1994-03-09 EP disclosed
US-5004822-A Isomers of 3-acetyl-2,2-dimethyl cyclopropane carboxylic acid derivatives NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1991-04-02 US disclosed
EP-0386892-A2 Arthropodicidal tetrahydrobenzopyranopyrazoles E.I. DU PONT DE NEMOURS AND COMPANY (US) 1990-09-12 EP disclosed
EP-0322195-A1 N-Formyl phosphonamidothioates E.I. DU PONT DE NEMOURS AND COMPANY (US) 1989-06-28 EP disclosed
EP-0300692-A1 Insecticidal pyrazolines E.I. DU PONT DE NEMOURS AND COMPANY (US) 1989-01-25 EP disclosed
EP-0223521-A2 Insecticidal and acaricidal phenoxypyridinyl esters and intermediates E.I. DU PONT DE NEMOURS AND COMPANY (US) 1987-05-27 EP disclosed
US-4622337-A INSECTICIDES NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1986-11-11 US disclosed
US-4464391-A Pesticides NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1984-08-07 US disclosed
EP-0005826-A1 Synergistic pyrethroid formulations and their preparation THE WELLCOME FOUNDATION LIMITED (GB) 1979-12-12 EP disclosed
US-4171355-A COMPRISING A CYCLOPROPYL CARBOXYLATE, A HETERO N-SUBSTITUTED THIOPHOSPHATE COMPOUND AND A HYDROXY-SUBSTITUTED BENZOPHENONE ICI AUSTRALIA LIMITED (AU) 1979-10-16 US disclosed
US-4100297-A CHRYSANTHEMIC ACID DERIVATIVES ROUSSEL UCLAF (FR) 1978-07-11 US disclosed