SCHEMBL6728591

SCHEMBL6728591

CCCC(=O)C[S+]1CCOCC1

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
FFAR3 O14843 2/20 0.31
HDAC3 O15379 2/20 0.31
HDAC1 Q13547 2/20 0.31
HDAC2 Q92769 2/20 0.31
HDAC8 Q9BY41 2/20 0.31
RECQL P46063 1/20 0.30
TSHR P16473 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
SCHEMBL6731317 0.89 CES1 (0.37) CES2CES1LMNAPOLBSMN1; SMN2
SCHEMBL6728031 0.87 KMT2A (0.41) CES2CES1TSHR
SCHEMBL6731628 0.85 KMT2A (0.44) CES2CES1TSHR
Trifluoromethanesulfonic Acid SCHEMBL6728061 0.84
SCHEMBL686207 0.83 TDP1 (0.38) LMNAPOLBSMN1; SMN2RECQLTSHR
SCHEMBL7158447 0.83 EPHX2 (0.32) LMNAPOLBSMN1; SMN2
SCHEMBL7159603 0.81 EPHX2 (0.38) CES2CES1
SCHEMBL6728105 0.81 CES2 (0.36) CES2CES1FFAR3HDAC3HDAC1
SCHEMBL6727780 0.79 CES2 (0.35) CES2CES1FFAR3HDAC3HDAC1
SCHEMBL6727970 0.79 ALDH1A1 (0.39) LMNASMN1; SMN2TSHR

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