SCHEMBL8017333

SCHEMBL8017333

C=CC(O)C(C)C(=O)OC

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.38
CA14 Q9ULX7 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TSHR P16473 2/20 0.34
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
CA12 O43570 1/20 0.33
ABCB1 P08183 1/20 0.33

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
SCHEMBL10314120 0.80 TSHR (0.37) CA14TSHRCA12
SCHEMBL10314119 0.78 ALDH1A1 (0.37) TSHR
SCHEMBL8019637 0.78 ALDH1A1 (0.37) TSHR
SCHEMBL8023468 0.77 CYP2D6 (0.33) CA14KMT2ATSHRCA12
SCHEMBL18383657 0.76 SMN1; SMN2 (0.34) SMN1; SMN2CA14MEN1KMT2ATAS1R3
SCHEMBL8023997 0.76 SMN1; SMN2 (0.37) SMN1; SMN2CA14MEN1KMT2ATSHR
SCHEMBL8023996 0.76 SMN1; SMN2 (0.37) SMN1; SMN2CA14MEN1KMT2ATSHR
SCHEMBL784551 0.74 SMN1; SMN2 (0.52) SMN1; SMN2CA14KMT2ATSHRCA12
SCHEMBL13946795 0.74 SMN1; SMN2 (0.52) SMN1; SMN2CA14KMT2ATSHRCA12
SCHEMBL12282379 0.74 MEN1 (0.40) SMN1; SMN2CA14MEN1KMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014197329-A1 FIBER COATED NANOPORES TRUSTEES OF BOSTON UNIVERSITY (US) 2014-12-11 WO disclosed
EP-0774452-B1 Optically active compounds having plural chiral centers and the production thereof CHISSO CORP (JP) 2000-01-26 EP disclosed
EP-0428392-B1 Processes for the preparation of optically active compounds having plural chiral centers CHISSO CORP (JP) 1998-05-27 EP disclosed
EP-0774452-A1 Optically active compounds having plural chiral centers and the production thereof Chisso Corporation (JP) 1997-05-21 EP disclosed
US-5574182-A HYDROLYSING 3-HYDROXYCARBOXYLIC ACID, CYCLIZING ESTER TO FORM 1,3-DIOXAN-4-ONE, DECYCLIZATION AND ESTERIFICATION CHISSO CORPORATION (JP) 1996-11-12 US disclosed
US-5411877-A Esterification CHISSO CORPORATION (JP) 1995-05-02 US disclosed
US-5348870-A Using hydrolase to effect ester interchange and resolution, then alcoholysis or hydrolysis and dehydration with cyclization and crystallization CHISSO CORPORATION (JP) 1994-09-20 US disclosed
EP-0428392-A2 Optically active compounds having plural chiral centers and the production thereof Chisso Corporation (JP) 1991-05-22 EP disclosed