SCHEMBL9209151

SCHEMBL9209151

CC1(C)OCCC(CC(N)=O)O1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.36
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
TMEM97 Q5BJF2 2/20 0.31
SIGMAR1 Q99720 2/20 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
SCHEMBL29123756 0.85 CA2 (0.34) CA2TMEM97SIGMAR1
SCHEMBL14307903 0.84 CYP2C19 (0.41) CA2TMEM97SIGMAR1
SCHEMBL3952930 0.84 CYP2C19 (0.41) CA2TMEM97SIGMAR1
SCHEMBL4918516 0.81 CA2 (0.49) CA2KDM4EMAPTTMEM97SIGMAR1
SCHEMBL4501663 0.81 CA2 (0.49) CA2KDM4EMAPTTMEM97SIGMAR1
SCHEMBL3376386 0.81 CA2 (0.49) CA2KDM4EMAPTTMEM97SIGMAR1
SCHEMBL28866445 0.81 CA2 (0.33) CA2
SCHEMBL9077337 0.79 CA2 (0.34) CA2SIGMAR1
SCHEMBL29983676 0.77 PDK1 (0.39) CA2TMEM97SIGMAR1
SCHEMBL29984022 0.77 PDK1 (0.39) CA2TMEM97SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0687263-A1 NOVEL PROCESS FOR -i(TRANS)-6- 2-(SUBSTITUTED-PYRROL-1-YL)ALKYL]PYRAN-2-ONE INHIBITORS OF CHOLESTEROL SYNTHESIS WARNER LAMBERT CO (US) 1995-12-20 EP claimed
WO-1994020492-A1 NOVEL PROCESS FOR TRANS-6-[2-(SUBSTITUTED-PYRROL-1-YL)ALKYL]PYRAN-2-ONE INHIBITORS OF CHOLESTEROL SYNTHESIS WARNER-LAMBERT COMPANY (US) 1994-09-15 WO claimed