SCHEMBL5586258

SCHEMBL5586258

O=C(N(CCCN(C(=O)C(F)(F)F)C(=O)C(F)(F)F)C(=O)C(F)(F)F)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
FAAH O00519 8/20 0.31
MLYCD O95822 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
CES1 P23141 5/20 0.30
CES2 O00748 2/20 0.30
CYP1A2 P05177 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL5586169 0.92 MEN1 (0.36) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL5586241 0.85 FAAH (0.45) MEN1KMT2AFAAHMLYCDCES1
SCHEMBL5586260 0.82 FAAH (0.50) MEN1KMT2AFAAHCES1CES2
SCHEMBL5586210 0.82 FAAH (0.50) MEN1KMT2AFAAHCES1CES2
SCHEMBL16580844 0.80
SCHEMBL30733923 0.80 ALDH1A1 (0.30) ALDH1A1POLBSMN1; SMN2
SCHEMBL31495217 0.80 ALDH1A1 (0.30) ALDH1A1POLBSMN1; SMN2
SCHEMBL30733904 0.80 ALDH1A1 (0.30) ALDH1A1POLBSMN1; SMN2
SCHEMBL28142714 0.79 HDAC6 (0.31)
SCHEMBL8190650 0.79 MLYCD (0.32) MLYCD

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-2007091817-A1 ANION RECEPTOR, AND ELECTROLYTE USING THE SAME KIM HEE JUNG (KR) 2007-08-16 WO claimed
WO-2007091817-A1 ANION RECEPTOR, AND ELECTROLYTE USING THE SAME KIM HEE JUNG (KR) 2007-08-16 WO disclosed