SCHEMBL13713604

SCHEMBL13713604

CCC(CC)(C(F)(F)C(C)(CC)S(=O)(=O)N1CCCCC1)S(=O)(=O)O

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.33
CNR1 P21554 4/20 0.32
CNR2 P34972 4/20 0.32
PDK1 Q15118 2/20 0.30
PDK2 Q15119 2/20 0.30
PDK3 Q15120 2/20 0.30
PDK4 Q16654 2/20 0.30
ABCC9 O60706 1/20 0.30
ABCC8 Q09428 1/20 0.30
KCNJ11 Q14654 1/20 0.30
KCNJ8 Q15842 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
SCHEMBL13713637 0.98 HTT (0.32) HTT
SCHEMBL13451031 0.88 HTT (0.33) HTTCNR1CNR2PDK1PDK2
SCHEMBL14535331 0.88 HTT (0.32) HTTCNR1CNR2
SCHEMBL17682403 0.85 CA12 (0.34) HTTCNR1CNR2ABCC9ABCC8
SCHEMBL14114285 0.85 CA12 (0.34) HTTCNR1CNR2ABCC9ABCC8
SCHEMBL16581040 0.83 HTT (0.34) HTTCNR1CNR2
SCHEMBL18594459 0.80 HTT (0.38) HTTCNR1CNR2
SCHEMBL14560906 0.78 ALDH1A1 (0.33)
SCHEMBL14241616 0.75 CNR2 (0.33) HTTCNR1CNR2ABCC9ABCC8
SCHEMBL13713640 0.75 HTT (0.35) HTTCNR1CNR2PDK1PDK2

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
US-7592126-B2 Positive resist composition and pattern forming method using the resist composition FUJIFILM CORPORATION (JP) 2009-09-22 US disclosed
US-20070105045-A1 Positive resist composition and pattern formation method using the positive resist composition FUJIFILM CORPORATION 2007-05-10 US disclosed