SCHEMBL28408481

SCHEMBL28408481

CCCC/C=C\CCCCCCCCCCC(F)C(F)(F)C(F)(F)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F7 P08709 2/20 0.46
F3 P13726 2/20 0.46
FAAH O00519 4/20 0.45
CES1 P23141 2/20 0.45
FFAR1 O14842 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
TERT O14746 3/20 0.42
PTPN1 P18031 3/20 0.42
PPARG P37231 3/20 0.42
PPARD Q03181 3/20 0.42
PPARA Q07869 3/20 0.42
TOP1 P11387 3/20 0.42
MAPT P10636 3/20 0.42
BLM P54132 2/20 0.42
HSD17B10 Q99714 2/20 0.42
FABP4 P15090 2/20 0.42
GMNN O75496 1/20 0.42
USP2 O75604 1/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42

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
SCHEMBL8490371 0.88 MAPT (0.52) FAAHCES1FFAR1FFAR4PPARD
SCHEMBL28409179 0.88 MAPT (0.52) FAAHCES1FFAR1FFAR4PPARD
SCHEMBL5690760 0.88 MAPT (0.52) FAAHCES1FFAR1FFAR4PPARD
SCHEMBL876914 0.84 MAPT (0.41) FAAHCES1FFAR1MAPTHSD17B10
Ammonia Solution, Strong SCHEMBL31621177 0.82 MAPT (0.40) FAAHCES1FFAR1MAPTHSD17B10
SCHEMBL29740036 0.78 MAPT (0.49) FAAHCES1FFAR1FFAR4PPARD
SCHEMBL28469797 0.78 FAAH (0.57) F7F3FAAHCES1TERT
SCHEMBL29203315 0.76 MAPT (0.46) FAAHCES1FFAR1FFAR4PPARD
SCHEMBL9617884 0.76 MAPT (0.46) FAAHCES1FFAR1FFAR4PPARD
SCHEMBL366787 0.76 MAPT (0.46) FAAHCES1FFAR1FFAR4PPARD

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
CN-107467021-B Attractant composition for preventing and treating helicoverpa clarkii 中国农业科学院植物保护研究所 2020-06-09 CN claimed
CN-107467021-B Attractant composition for preventing and treating helicoverpa clarkii 中国农业科学院植物保护研究所 2020-06-09 CN disclosed