SCHEMBL21020569

SCHEMBL21020569

CC(=O)C1C(c2ccc(C(C)(C)F)cc2)C1(C)Cl

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.33
SLC9A1 P19634 7/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD11B1 P28845 1/20 0.32
HTT P42858 1/20 0.31
CES2 O00748 3/20 0.31
CES1 P23141 1/20 0.31
NR1I2 O75469 1/20 0.30
RORC P51449 1/20 0.30
LMNA P02545 2/20 0.30
CYP2C9 P11712 1/20 0.30
TSHR P16473 1/20 0.30
BACE1 P56817 1/20 0.30
BLM P54132 1/20 0.30
PPARA Q07869 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
SCHEMBL21021071 0.86
SCHEMBL20076696 0.80 GAA (0.44) GAAMAPTSLC9A1SMN1; SMN2HTT
SCHEMBL21021072 0.80 PGK1 (0.31) SLC9A1SMN1; SMN2
SCHEMBL21021686 0.75 CES2 (0.34) MAPTHTTCES2CES1BACE1
SCHEMBL20076701 0.74 SLC9A1 (0.42) MAPTSLC9A1SMN1; SMN2HTTLMNA
SCHEMBL20076754 0.68 SLC9A1 (0.36) SLC9A1HTTLMNA
SCHEMBL11303200 0.67 HTT (0.39) GAASLC9A1HTTCES2CES1
SCHEMBL11303199 0.67 HTT (0.39) GAASLC9A1HTTCES2CES1
SCHEMBL21022116 0.66 SLC9A1 (0.39) MAPTSLC9A1HTTLMNA
SCHEMBL18144167 0.65 MEN1 (0.41) MAPTHTTCES2CES1LMNA

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
EP-3283459-B1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2019-05-22 EP disclosed