SCHEMBL8445343

SCHEMBL8445343

CCC(F)(F)Oc1cccc(C)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.48
LMNA P02545 1/20 0.42
AR P10275 1/20 0.41
ALDH1A1 P00352 2/20 0.41
L3MBTL1 Q9Y468 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
MAPK1 P28482 1/20 0.40
CHRM5 P08912 1/20 0.40
HPGD P15428 1/20 0.39
F2 P00734 1/20 0.39
GAA P10253 2/20 0.39
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CETP P11597 1/20 0.38

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
SCHEMBL30072327 0.80 ACHE (0.56) ACHELMNAARALDH1A1L3MBTL1
SCHEMBL12245 0.80 ACHE (0.56) ACHELMNAARALDH1A1L3MBTL1
SCHEMBL13330969 0.80 CHRM2 (0.44) ALDH1A1L3MBTL1MAPK1TDP1CETP
SCHEMBL12853903 0.79 ACHE (0.50) ACHELMNAALDH1A1L3MBTL1GAA
SCHEMBL5549887 0.79 ACHE (0.54) ACHELMNAARALDH1A1L3MBTL1
SCHEMBL20752042 0.79 ACHE (0.54) ACHELMNAARALDH1A1L3MBTL1
SCHEMBL8460171 0.79 ACHE (0.54) ACHELMNAARALDH1A1L3MBTL1
SCHEMBL9910049 0.78 LTA4H (0.39) L3MBTL1MAPK1
SCHEMBL5549913 0.77 ACHE (0.52) ACHELMNAARALDH1A1L3MBTL1
SCHEMBL19375277 0.77 ACHE (0.52) ACHELMNAARALDH1A1L3MBTL1

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
WO-2021011722-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2021-01-21 WO disclosed
EP-2138498-A1 Substituted tricyclic derivatives against neurodegenerative diseases sanofi-aventis (FR) 2009-12-30 EP disclosed