SCHEMBL9770778

SCHEMBL9770778

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

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.70
CES1 P23141 3/20 0.46
MEN1 O00255 1/20 0.46
FAAH O00519 1/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 1/20 0.46
GPR84 Q9NQS5 2/20 0.45
PPARG P37231 2/20 0.45
PPARD Q03181 2/20 0.45
PPARA Q07869 2/20 0.45
ALDH1A1 P00352 1/20 0.45
TSHR P16473 1/20 0.45
SLC22A6 Q4U2R8 1/20 0.45
SLC22A8 Q8TCC7 1/20 0.45
TLR2 O60603 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
TDP1 Q9NUW8 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
SCHEMBL28546145 1.00 CES2 (0.70) CES2CES1MEN1FAAHMAPK1
SCHEMBL27799898 0.92 CES2 (0.57) CES2CES1ALDH1A1
SCHEMBL6384367 0.83 CES2 (1.00) CES2CES1MEN1KMT2AGPR84
SCHEMBL7758009 0.77 CES2 (0.72) CES2CES1MEN1FAAHMAPK1
SCHEMBL28140535 0.73 CES2 (0.67) CES2CES1MEN1KMT2AGPR84
SCHEMBL810099 0.73
SCHEMBL6323111 0.73 NAAA (0.50) CES2FAAHALDH1A1TSHR
SCHEMBL10797844 0.72 CES2 (0.59) CES2CES1GPR84PPARGPPARD
SCHEMBL8042102 0.72 CES2 (0.59) CES2CES1GPR84PPARGPPARD
SCHEMBL23950131 0.72 CES2 (0.64) CES2CES1MEN1FAAHMAPK1

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