SCHEMBL7200091

SCHEMBL7200091

N#C[C@@H]([O])c1ccc(F)c(Oc2ccccc2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DUT P33316 1/20 0.37
ERBB2 P04626 1/20 0.37
HTR2A P28223 1/20 0.35
SLC6A4 P31645 1/20 0.35
LMNA P02545 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
PARP10 Q53GL7 1/20 0.34
BCAT2 O15382 1/20 0.34
BCAT1 P54687 1/20 0.34
FAAH O00519 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
TSHR P16473 1/20 0.33
HPGD P15428 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
USP2 O75604 1/20 0.33

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
SCHEMBL10745511 1.00 DUT (0.37) DUTERBB2HTR2ASLC6A4LMNA
SCHEMBL11023886 0.85 TRPA1 (0.47) DUTERBB2HTR2ASLC6A4LMNA
SCHEMBL9753500 0.82 TSHR (0.47) DUTERBB2HTR2ASLC6A4LMNA
SCHEMBL15978555 0.82 DUT (0.39) DUTERBB2HTR2ASLC6A4LMNA
SCHEMBL29750217 0.82 TSHR (0.47) DUTERBB2HTR2ASLC6A4LMNA
SCHEMBL24106410 0.82 DUT (0.39) DUTERBB2HTR2ASLC6A4LMNA
SCHEMBL10906698 0.82 ERBB2 (0.37) DUTERBB2HTR2ASLC6A4LMNA
SCHEMBL7645648 0.82 TSHR (0.47) DUTERBB2HTR2ASLC6A4LMNA
SCHEMBL3243488 0.82 TSHR (0.47) DUTERBB2HTR2ASLC6A4LMNA
SCHEMBL31573173 0.82 TSHR (0.47) DUTERBB2HTR2ASLC6A4LMNA

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
WO-2003053905-A1 A PROCESS FOR THE PRODUCTION OF 1R PYRETHROID ESTERS SYNGENTA LIMITED (GB) 2003-07-03 WO claimed