SCHEMBL8846589

SCHEMBL8846589

CCC(C)OC(=O)C(O)CCBr

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.37
MAPT P10636 1/20 0.36
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
TRPA1 O75762 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL28355468 0.81 MAPT (0.41) FAAHMAPTTSHR
SCHEMBL8846299 0.81 MAPT (0.36) FAAHMAPTTSHR
SCHEMBL8846495 0.81 MAPT (0.36) FAAHMAPTTSHR
SCHEMBL15153946 0.79 TET2 (0.47) FAAHMAPT
SCHEMBL8846572 0.77 TSHR (0.35) FAAHMAPTTSHR
SCHEMBL15154020 0.77 FFAR4 (0.40) MAPTALDH1A1TSHR
SCHEMBL642462 0.75 ALDH1A1 (0.44) TRPA1ALDH1A1
SCHEMBL642560 0.75 ALDH1A1 (0.44) TRPA1ALDH1A1
SCHEMBL702238 0.74 MAPT (0.42) FAAHMAPTALDH1A1TSHR
SCHEMBL4679354 0.74 MAPT (0.42) FAAHMAPTCNR1CNR2TRPA1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0467132-B1 4-Substituted-2-hydroxybutanoates and a process for producing them CHISSO CORP (JP) 1997-01-22 EP disclosed
US-5324852-A Ring opening optically active a-hydroxybutyrolactone; esterification CHISSO CORPORATION (JP) 1994-06-28 US disclosed
EP-0467132-A2 4-Substituted-2-hydroxybutanoates and a process for producing them CHISSO CORPORATION (JP) 1992-01-22 EP disclosed