SCHEMBL9619804

SCHEMBL9619804

CC(C)(C[Sn](F)(CC(C)(C)c1ccccc1)c1ccc(F)cc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.41
KCNN4 O15554 2/20 0.35
CACNA1G O43497 1/20 0.34
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
NR3C2 P08235 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KIF11 P52732 2/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
MAPK1 P28482 1/20 0.31

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
SCHEMBL9619807 0.89 TAAR1 (0.47) TAAR1KCNN4ALDH1A1KMT2AMAPK1
SCHEMBL9619732 0.84 TAAR1 (0.42) TAAR1KCNN4CACNA1GSLC6A4SLC6A3
SCHEMBL9619749 0.78 TAAR1 (0.37) TAAR1KCNN4NR3C2KIF11
SCHEMBL9619879 0.76 TAAR1 (0.38) TAAR1
SCHEMBL10716918 0.76 TSHR (0.39) TAAR1MEN1ALDH1A1KMT2AKIF11
SCHEMBL19441058 0.74 TAAR1 (0.50) TAAR1KCNN4CACNA1GSLC6A4SLC6A3
SCHEMBL9619762 0.70 MLNR (0.41) SLC6A3
SCHEMBL9619923 0.70 TAAR1 (0.50) TAAR1KCNN4ALDH1A1KMT2AMAPK1
SCHEMBL11683594 0.70 TAAR1 (0.50) TAAR1KCNN4ALDH1A1KMT2AMAPK1
Fluoride Ion SCHEMBL9619806 0.69 TAAR1 (0.41) TAAR1KCNN4CACNA1GSLC6A4SLC6A3

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
EP-0214842-B1 ORGANOTIN COMPOUNDS AND PESTICIDES CONTAINING THEM SHIONOGI & CO., LTD. (JP) 1992-02-05 EP disclosed
US-4935408-A Organotin compounds and pesticides containing them SHIONOGI & CO., LTD. (JP) 1990-06-19 US disclosed
US-4774235-A MITICIDES SHIONOGI & CO., LTD. (JP) 1988-09-27 US disclosed
EP-0214842-A2 Organotin compounds and pesticides containing them SHIONOGI & CO., LTD. (JP) 1987-03-18 EP disclosed