SCHEMBL10399082

SCHEMBL10399082

[CH2]C(C)(C)c1ccc(F)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.39
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
TRPA1 O75762 2/20 0.34
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34
CHRM3 P20309 1/20 0.34
PDE2A O00408 2/20 0.33
NFE2L2 Q16236 1/20 0.33
CHRNA1 P02708 1/20 0.33
CHRNG P07510 1/20 0.33
CHRNB1 P11230 1/20 0.33
CHRNB2 P17787 1/20 0.33
SLC6A2 P23975 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
SLC6A3 Q01959 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
SCHEMBL828570 0.80 ALDH1A1 (0.46) KCNN4HDAC3HDAC1HDAC2HDAC6
SCHEMBL3950869 0.80 ESR1 (0.44) KCNN4HDAC3HDAC1HDAC2HDAC6
SCHEMBL27902048 0.76 KCNN4 (0.43) KCNN4HDAC3HDAC1HDAC2HDAC6
SCHEMBL6967423 0.76 KCNN4 (0.43) KCNN4HDAC3HDAC1HDAC2HDAC6
SCHEMBL1240276 0.76 PDE2A (0.45) KCNN4HDAC3HDAC1HDAC2HDAC6
SCHEMBL1626865 0.76 SCN10A (0.36) KCNN4HDAC3HDAC1HDAC2HDAC6
SCHEMBL26394578 0.76 KCNN4 (0.36) KCNN4HDAC3HDAC1HDAC2HDAC6
SCHEMBL26394624 0.74 AKR1C3 (0.41) KCNN4HDAC3HDAC1HDAC2HDAC6
SCHEMBL13452475 0.73 HDAC3 (0.44) KCNN4HDAC3HDAC1HDAC2HDAC6
SCHEMBL28091068 0.73 MEN1 (0.41) KCNN4HDAC3HDAC1HDAC2HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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