SCHEMBL28940927

SCHEMBL28940927

CCCCCC=CCCC(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 7/20 0.44
CES1 P23141 2/20 0.44
PLA2G4A P47712 2/20 0.42
MAPT P10636 2/20 0.42
BLM P54132 2/20 0.42
ALDH1A1 P00352 1/20 0.42
PLA2G4B P0C869 1/20 0.42
MGLL Q99685 1/20 0.42
PLA2G4C Q9UP65 1/20 0.42
TRPV1 Q8NER1 2/20 0.42
GGPS1 O95749 1/20 0.38
GMNN O75496 1/20 0.37
USP2 O75604 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
POLB P06746 1/20 0.37
CYP2C9 P11712 1/20 0.37
ALOX15 P16050 1/20 0.37
APEX1 P27695 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL30120072 0.86 FAAH (0.36) FAAHCES1PLA2G4AMAPTBLM
SCHEMBL29180731 0.86 FAAH (0.42) FAAHCES1PLA2G4AMAPTBLM
SCHEMBL28940930 0.82 FAAH (0.47) FAAHCES1PLA2G4AMAPTBLM
SCHEMBL1818263 0.79 FAAH (0.50) FAAHCES1PLA2G4AMAPTBLM
SCHEMBL1818265 0.79 FAAH (0.50) FAAHCES1PLA2G4AMAPTBLM
SCHEMBL14879730 0.78 CES2 (0.40) FAAHCES1GGPS1CYP1A2HSD17B10
SCHEMBL30119921 0.77 GGPS1 (0.43) FAAHCES1PLA2G4AMAPTBLM
SCHEMBL2893424 0.77 FAAH (0.46) FAAHCES1PLA2G4AMAPTBLM
SCHEMBL2893423 0.77 FAAH (0.46) FAAHCES1PLA2G4AMAPTBLM
SCHEMBL8593542 0.76 CES2 (0.39) FAAHCES1GGPS1CYP1A2HSD17B10

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
CN-115466601-A Fluorine-containing electronic cooling liquid 北京宇极科技发展有限公司 2022-12-13 CN claimed