SCHEMBL20076701

SCHEMBL20076701

CC(=O)C1C(c2ccc(F)c(Cl)c2)C1(C)Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 5/20 0.42
PRKAG1 P54619 1/20 0.38
PRKAA1 Q13131 1/20 0.38
PRKAB1 Q9Y478 1/20 0.38
SLC6A2 P23975 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 3/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MAPT P10636 2/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
LMNA P02545 1/20 0.36
SLC2A1 P11166 1/20 0.36
MDM2 Q00987 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
TAS1R2 Q8TE23 1/20 0.35

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
SCHEMBL20076567 0.87 SLC9A1 (0.36) SLC9A1PRKAG1PRKAA1PRKAB1SLC6A2
SCHEMBL20076620 0.86 SLC9A1 (0.40) SLC9A1PRKAG1PRKAA1PRKAB1SLC6A2
SCHEMBL20076696 0.82 GAA (0.44) SLC9A1HTTNPC1RAB9ASMN1; SMN2
SCHEMBL14276422 0.79 SLC9A1 (0.48) SLC9A1PRKAG1PRKAA1PRKAB1TSHR
SCHEMBL18143728 0.77 MEN1 (0.43) SLC9A1PRKAG1PRKAA1PRKAB1SLC6A2
SCHEMBL18143726 0.77 MEN1 (0.43) SLC9A1PRKAG1PRKAA1PRKAB1SLC6A2
SCHEMBL30258023 0.77 MEN1 (0.43) SLC9A1PRKAG1PRKAA1PRKAB1SLC6A2
SCHEMBL19442291 0.77 MEN1 (0.43) SLC9A1PRKAG1PRKAA1PRKAB1SLC6A2
SCHEMBL20845981 0.77 MEN1 (0.43) SLC9A1PRKAG1PRKAA1PRKAB1SLC6A2
SCHEMBL30739905 0.77 MEN1 (0.40) SLC9A1PRKAG1PRKAA1PRKAB1SLC6A2

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