SCHEMBL5586241

SCHEMBL5586241

CCCCN(C(=O)C(F)(F)F)C(=O)C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FAAH O00519 8/20 0.45
CES1 P23141 6/20 0.43
CES2 O00748 5/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA9 Q16790 2/20 0.40
EPHX1 P07099 1/20 0.39
MLYCD O95822 1/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
MMP8 P22894 1/20 0.38

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
SCHEMBL5586260 0.91 FAAH (0.50) FAAHCES1CES2MEN1CYP1A2
SCHEMBL5586210 0.91 FAAH (0.50) FAAHCES1CES2MEN1CYP1A2
SCHEMBL5586258 0.85 ALDH1A1 (0.33) FAAHCES1CES2MEN1CYP1A2
SCHEMBL5586169 0.83 MEN1 (0.36) FAAHCES1CES2MEN1CYP1A2
SCHEMBL6057133 0.82 CA12 (0.50) FAAHCES1CES2MEN1CYP1A2
SCHEMBL16508865 0.80 FAAH (0.43) FAAHCES1CES2MEN1CYP1A2
SCHEMBL20285447 0.79 CA1 (0.41) FAAHCES1CES2MEN1KMT2A
SCHEMBL30733904 0.77 ALDH1A1 (0.30)
SCHEMBL30733923 0.77 ALDH1A1 (0.30)
SCHEMBL16580844 0.77

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 3 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
US-9627217-B2 Silicon-containing EUV resist underlayer film-forming composition including additive NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-04-18 US disclosed
WO-2007091817-A1 ANION RECEPTOR, AND ELECTROLYTE USING THE SAME KIM HEE JUNG (KR) 2007-08-16 WO disclosed