SCHEMBL8976731

SCHEMBL8976731

CCCCCCS(=O)(=O)CC(C)CS(=O)(=O)CCCCCC

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.54
CES1 P23141 5/20 0.48
FAAH O00519 5/20 0.48
CES2 O00748 2/20 0.44
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.36

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
SCHEMBL5384226 0.86 CA2 (0.54) CA2CES1FAAHCES2TP53
Phosphoric Acid SCHEMBL11090703 0.82 CES1 (0.42) CA2CES1FAAHCES2
Phosphoric Acid SCHEMBL11089388 0.82 CES1 (0.42) CA2CES1FAAHCES2
SCHEMBL8976898 0.80 CA2 (0.52) CA2CES1FAAHCES2TSHR
SCHEMBL8976892 0.80 CA2 (0.52) CA2CES1FAAHCES2TSHR
SCHEMBL5586100 0.80 CA2 (0.68) CA2CES1FAAHCES2TSHR
SCHEMBL350042 0.80 CA2 (0.68) CA2CES1FAAHCES2TSHR
SCHEMBL393510 0.80 CA2 (0.68) CA2CES1FAAHCES2TSHR
SCHEMBL395321 0.80 CA2 (0.68) CA2CES1FAAHCES2TSHR
SCHEMBL11058951 0.80 CA2 (0.68) CA2CES1FAAHCES2TSHR

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
EP-0706528-A1 FUCOSYLATED GLYCOSIDES AS INHIBITORS OF BACTERIAL ADHERENCE Astra Aktiebolag (SE) 1996-04-17 EP disclosed