SCHEMBL6727752

SCHEMBL6727752

CCCC[S+](CCCC)CC(=O)C(C)C

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.33
CES2 O00748 2/20 0.33
CES1 P23141 1/20 0.32
LMNA P02545 2/20 0.31
MEN1 O00255 1/20 0.31
FAAH O00519 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL13004504 0.92 CES2 (0.39) CES2CES1LMNAMEN1FAAH
Perflubutane SCHEMBL7531825 0.88 FAAH (0.32) CES2CES1MEN1FAAHKMT2A
SCHEMBL6550538 0.85 EPHX2 (0.34)
Trifluoromethanesulfonic Acid SCHEMBL6549741 0.83 KCNH2 (0.34) CES2CES1FAAH
SCHEMBL6550585 0.78 ALDH1A1 (0.39) LMNAMEN1MAPK1KMT2A
SCHEMBL6728419 0.77
SCHEMBL6723402 0.75 CES1 (0.37) CES2CES1MEN1KMT2A
SCHEMBL9635478 0.75 AKR1B1 (0.44) CES2CES1MEN1KMT2A
SCHEMBL685330 0.73 TDP1 (0.41) CES2CES1MEN1KMT2A
SCHEMBL6551163 0.71 EPHX2 (0.35) CA1

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