SCHEMBL11209682

SCHEMBL11209682

C#CC(O)c1cccc(Oc2ccc(F)cc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.44
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
CYP2D6 P10635 2/20 0.40
ALOX5 P09917 4/20 0.40
SCN9A Q15858 2/20 0.39
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38
MAPT P10636 3/20 0.38
ALDH1A1 P00352 2/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
ALOX12 P18054 1/20 0.38
NFKB1 P19838 1/20 0.38
MAPK1 P28482 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
SCHEMBL11479722 0.89 PTGS1 (0.42) PTGS1MEN1KMT2ACYP2D6ALOX5
SCHEMBL8577668 0.87 PTGS1 (0.57) PTGS1MEN1KMT2ACYP2D6ALOX5
SCHEMBL10686594 0.87 PTGS1 (0.57) PTGS1MEN1KMT2ACYP2D6ALOX5
SCHEMBL10550089 0.87 PTGS1 (0.57) PTGS1MEN1KMT2ACYP2D6ALOX5
SCHEMBL11142983 0.85 PTGS1 (0.44) PTGS1MEN1KMT2ACYP2D6FNTA
SCHEMBL11248942 0.85 TSHR (0.44) PTGS1MEN1KMT2ACYP2D6ALOX5
SCHEMBL10976289 0.85 PTGS1 (0.44) PTGS1MEN1KMT2ACYP2D6ALOX5
SCHEMBL10507535 0.85 TSHR (0.44) PTGS1MEN1KMT2ACYP2D6ALOX5
SCHEMBL10507529 0.85 TSHR (0.44) PTGS1MEN1KMT2ACYP2D6ALOX5
SCHEMBL11491256 0.84 SCN9A (0.38) MEN1KMT2AALOX5SCN9AFNTA

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
WO-2012150207-A1 USE OF CYCLOPROPANECARBOXYLIC ACID ESTER DERIVATIVES FOR CONTROLLING INSECTICIDE-RESISTANT INSECTS BAYER CROPSCIENCE AG (DE) 2012-11-08 WO disclosed
WO-2012150206-A2 NOVEL CYCLOPROPANOIC ACID ESTER DERIVATIVES AS PEST CONTROL AGENTS BAYER CROPSCIENCE AG (DE) 2012-11-08 WO disclosed
US-4336266-A Insecticidal 2,2-dimethyl-3-(2',2'-dihalovinyl)-cyclopropane carboxylic acid 3-halophenoxy-α-vinylbenzyl esters CIBA-GEIGY CORPORATION (US) 1982-06-22 US disclosed
US-4242357-A INSECTICIDES, MITICIDES BAYER AKTIENGESELLSCHAFT (DE) 1980-12-30 US disclosed