SCHEMBL20076724

SCHEMBL20076724

Cc1ccc(C)c(C(C)CC(F)(F)F)c1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.37
KMT2A Q03164 2/20 0.34
LMNA P02545 3/20 0.33
ALDH1A1 P00352 3/20 0.33
TDP1 Q9NUW8 1/20 0.33
TRPA1 O75762 1/20 0.33
CHRM1 P11229 1/20 0.33
SLC6A2 P23975 1/20 0.33
ADRA1A P35348 1/20 0.33
HTR2B P41595 1/20 0.33
MEN1 O00255 1/20 0.33
TAAR1 Q96RJ0 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
SRC P12931 1/20 0.31
CYP2C19 P33261 1/20 0.31
TSHR P16473 1/20 0.30
HSD11B1 P28845 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL27391010 0.76 TSHR (0.42) POLBKMT2ALMNAALDH1A1TDP1
SCHEMBL8985501 0.74 PDE5A (0.40) POLBKMT2ALMNAALDH1A1TDP1
Hydrogen Peroxide SCHEMBL11334308 0.73 TSHR (0.44) POLBKMT2ALMNAALDH1A1TDP1
SCHEMBL27665832 0.73 CYP2C9 (0.42) POLBKMT2ALMNAALDH1A1TDP1
SCHEMBL8750430 0.71 SRC (0.36) POLBKMT2ALMNAALDH1A1TDP1
SCHEMBL30165955 0.71 LMNA (0.54) POLBKMT2ALMNAALDH1A1TDP1
SCHEMBL11882816 0.71 ALDH1A1 (0.44) POLBKMT2ALMNAALDH1A1TDP1
SCHEMBL598624 0.71 LMNA (0.54) POLBKMT2ALMNAALDH1A1TDP1
SCHEMBL9092834 0.70 LMNA (0.36) POLBKMT2ALMNAALDH1A1TDP1
SCHEMBL11281355 0.70 KMT2A (0.40) POLBKMT2ALMNAALDH1A1TDP1

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-2018071327-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2018-04-19 WO disclosed