SCHEMBL6731317

SCHEMBL6731317

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

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CES1 P23141 3/20 0.37
CES2 O00748 2/20 0.37
LMNA P02545 2/20 0.37
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 4/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 2/20 0.34
KMT2A Q03164 2/20 0.34
CA1 P00915 1/20 0.33
HTT P42858 1/20 0.33
IAPP P10997 1/20 0.32
HAO1 Q9UJM8 1/20 0.32
THRB P10828 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
SCHEMBL6728031 0.95 KMT2A (0.41) CES1CES2ALDH1A1MAPTKMT2A
SCHEMBL6731628 0.93 KMT2A (0.44) CES1CES2ALDH1A1MAPTKMT2A
SCHEMBL6728591 0.89 CES2 (0.32) CES1CES2LMNAPOLBSMN1; SMN2
SCHEMBL7163299 0.87 CES2 (0.32) CES1CES2LMNAPOLBSMN1; SMN2
Trifluoromethanesulfonic Acid SCHEMBL6723127 0.85 KCNH2 (0.32) CES1CES2
SCHEMBL7155891 0.84 EPHX2 (0.38) CES1CES2MAPTKMT2AHAO1
SCHEMBL6723667 0.82 CES1 (0.41) CES1CES2ALDH1A1TP53MAPT
SCHEMBL7164340 0.82 CES2 (0.33) CES1CES2MAPTKMT2AHAO1
Trifluoromethanesulfonic Acid SCHEMBL6735072 0.81 FAAH (0.35) CES1CES2KMT2AHAO1
SCHEMBL7155902 0.81 HAO1 (0.36) CES1CES2ALDH1A1MAPTKMT2A

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