SCHEMBL9862124

SCHEMBL9862124

COC(=O)C(Cl)=CC1C(C(=O)OC(C)(C)C)C1(C)C

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.38
KMT2A Q03164 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
MEN1 O00255 2/20 0.38
TSHR P16473 2/20 0.33
ADRA2A P08913 1/20 0.32
CNR1 P21554 1/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2C19 P33261 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL9862140 0.84 LMNA (0.44) LMNAKMT2ATDP1MEN1TSHR
SCHEMBL294885 0.84 LMNA (0.44) LMNAKMT2ATDP1MEN1TSHR
SCHEMBL10828060 0.84 LMNA (0.44) LMNAKMT2ATDP1MEN1TSHR
SCHEMBL293500 0.84 LMNA (0.42) LMNAKMT2ATDP1MEN1TSHR
SCHEMBL293501 0.84 LMNA (0.42) LMNAKMT2ATDP1MEN1TSHR
SCHEMBL9862119 0.81 LMNA (0.37) LMNAKMT2ATDP1MEN1TSHR
SCHEMBL11031341 0.81 LMNA (0.37) LMNAKMT2ATDP1MEN1TSHR
SCHEMBL10564088 0.81 LMNA (0.37) LMNAKMT2ATDP1MEN1TSHR
SCHEMBL11035168 0.80 LMNA (0.36) LMNAKMT2ATDP1MEN1TSHR
SCHEMBL9324344 0.80 LMNA (0.36) LMNAKMT2ATDP1MEN1TSHR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5004822-A Isomers of 3-acetyl-2,2-dimethyl cyclopropane carboxylic acid derivatives NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1991-04-02 US 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