SCHEMBL8304055

SCHEMBL8304055

CC1(C)[C@@H](C=C(Br)Br)[C@@]1(Cc1cccc(Oc2ccccc2)c1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.46
LMNA P02545 1/20 0.46
ADRA2A P08913 1/20 0.46
CNR1 P21554 1/20 0.46
ATM Q13315 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
FFAR1 O14842 10/20 0.40
PTGES O14684 1/20 0.39
P2RX3 P56373 2/20 0.39
GNA15 P30679 1/20 0.38
PTGER3 P43115 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
MITF O75030 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
EPHX2 P34913 1/20 0.38
CETP P11597 1/20 0.38

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
SCHEMBL11592061 1.00 TDP1 (0.46) TDP1LMNAADRA2ACNR1ATM
SCHEMBL10829249 1.00 TDP1 (0.46) TDP1LMNAADRA2ACNR1ATM
SCHEMBL5854396 0.90 TDP1 (0.54) TDP1LMNAADRA2ACNR1ATM
SCHEMBL9020889 0.90 TDP1 (0.54) TDP1LMNAADRA2ACNR1ATM
SCHEMBL1527655 0.90 TDP1 (0.54) TDP1LMNAADRA2ACNR1ATM
SCHEMBL23824720 0.90 TDP1 (0.54) TDP1LMNAADRA2ACNR1ATM
SCHEMBL8210825 0.90 TDP1 (0.54) TDP1LMNAADRA2ACNR1ATM
SCHEMBL8856826 0.90 TDP1 (0.54) TDP1LMNAADRA2ACNR1ATM
SCHEMBL5043710 0.90 TDP1 (0.54) TDP1LMNAADRA2ACNR1ATM
SCHEMBL1527657 0.90 TDP1 (0.54) 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 11 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
EP-0386892-A2 Arthropodicidal tetrahydrobenzopyranopyrazoles E.I. DU PONT DE NEMOURS AND COMPANY (US) 1990-09-12 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