SCHEMBL6736711

SCHEMBL6736711

CC(C)(C)C(=O)CC(S)C1CCCCC1.O=S(=O)(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.31

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.31
PDK2 Q15119 1/20 0.31
PDK3 Q15120 1/20 0.31
PDK4 Q16654 1/20 0.31
F2 P00734 1/20 0.30
PRSS1 P07477 1/20 0.30
PRSS2 P07478 1/20 0.30
PRSS3 P35030 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL6731920 0.99 F2 (0.32) PDK1PDK2PDK3PDK4F2
SCHEMBL6725749 0.84
SCHEMBL6734012 0.84
SCHEMBL6726326 0.83 CA2 (0.30) F2PRSS1PRSS2PRSS3
SCHEMBL6723485 0.83 CA2 (0.30) F2PRSS1PRSS2PRSS3
SCHEMBL6726381 0.81 EPHX1 (0.38) PDK1PDK2PDK3PDK4ALDH1A1
SCHEMBL6734821 0.78 CA1 (0.35)
SCHEMBL6735127 0.77 CA2 (0.34) F2PRSS1PRSS2PRSS3
SCHEMBL6728555 0.76 CA1 (0.30)
SCHEMBL6726185 0.75

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-20040224251-A1 Positive resist composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-11-11 US disclosed