SCHEMBL9770767

SCHEMBL9770767

CCCCCCC(=O)C(F)(F)C(=O)CF

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FAAH O00519 12/20 0.64
CES1 P23141 10/20 0.64
CES2 O00748 5/20 0.64
MEN1 O00255 1/20 0.64
CYP1A2 P05177 1/20 0.64
KMT2A Q03164 1/20 0.64
HSD17B10 Q99714 1/20 0.64
ALDH1A1 P00352 1/20 0.45
TSHR P16473 1/20 0.45
SLC22A6 Q4U2R8 1/20 0.45
SLC22A8 Q8TCC7 1/20 0.45
GPR84 Q9NQS5 1/20 0.45

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
SCHEMBL5146280 0.82 FAAH (0.67) FAAHCES1CES2MEN1CYP1A2
SCHEMBL8515257 0.79 FAAH (1.00) FAAHCES1CES2MEN1CYP1A2
SCHEMBL2819894 0.79 FAAH (1.00) FAAHCES1CES2MEN1CYP1A2
SCHEMBL2304645 0.79 FAAH (1.00) FAAHCES1CES2MEN1CYP1A2
SCHEMBL4653611 0.79 FAAH (1.00) FAAHCES1CES2MEN1CYP1A2
SCHEMBL31152148 0.79 FAAH (1.00) FAAHCES1CES2MEN1CYP1A2
SCHEMBL9192692 0.79 FAAH (1.00) FAAHCES1CES2MEN1CYP1A2
SCHEMBL10966855 0.79 FAAH (1.00) FAAHCES1CES2MEN1CYP1A2
SCHEMBL28471077 0.79 FAAH (1.00) FAAHCES1CES2MEN1CYP1A2
SCHEMBL810234 0.79 FAAH (1.00) FAAHCES1CES2MEN1CYP1A2

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
US-5006254-A Extraction with halogenated beta-diketone RHONE-POULENC CHIMIE (FR) 1991-04-09 US disclosed