SCHEMBL1136293

SCHEMBL1136293

CCOC(=O)CC1=C[C@H](OC(C)=O)CC1=O

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.35
KMT2A Q03164 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
ALDH1A1 P00352 5/20 0.33
CYP19A1 P11511 1/20 0.33
HSD17B10 Q99714 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
LMNA P02545 1/20 0.32
AKT1 P31749 1/20 0.32
CYP2D6 P10635 1/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32

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
SCHEMBL1136296 1.00 SMN1; SMN2 (0.35) SMN1; SMN2KMT2ATDP1GSK3AGSK3B
SCHEMBL14441020 0.86 ALDH1A1 (0.36) SMN1; SMN2KMT2ATDP1GSK3AGSK3B
SCHEMBL9497808 0.82 CYP4F2 (0.40) KMT2ATDP1ALDH1A1HSD17B10MEN1
SCHEMBL1136249 0.82 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1HSD17B10
SCHEMBL14441019 0.82 CYP19A1 (0.36) CYP19A1
SCHEMBL1136226 0.81 SMN1; SMN2 (0.34) SMN1; SMN2KMT2ATDP1GSK3AGSK3B
SCHEMBL10745568 0.80 SMN1; SMN2 (0.40) SMN1; SMN2KMT2ATDP1GSK3AGSK3B
SCHEMBL1135557 0.79 SMN1; SMN2 (0.39) SMN1; SMN2KMT2ATDP1GSK3AGSK3B
SCHEMBL1136248 0.79 CYP19A1 (0.40) KMT2ACYP19A1GAAHPGD
SCHEMBL13251702 0.74 SLC18A3 (0.33) SMN1; SMN2KMT2AALDH1A1KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2218788-B1 Process for the preparation of optically active cyclopentenones WEI SHIH-YI (TW) 2016-08-24 EP disclosed
US-8546114-B2 Processes for the preparation of optically active cyclopentenones and cyclopentenones prepared therefrom CHIROGATE INTERNATIONAL INC. (TW) 2013-10-01 US disclosed
US-8546114-B2 Processes for the preparation of optically active cyclopentenones and cyclopentenones prepared therefrom CHIROGATE INTERNATIONAL INC. (TW) 2013-10-01 US disclosed
US-8546114-B2 Processes for the preparation of optically active cyclopentenones and cyclopentenones prepared therefrom CHIROGATE INTERNATIONAL INC. (TW) 2013-10-01 US disclosed
EP-1811037-B1 Optically active cyclopentenones for use in the peparation of prostaglandins WEI SHIH-YI (TW) 2011-02-23 EP disclosed
EP-2218788-A1 Process for the preparation of optically active cyclopentenones Chirogate International Inc. (TW) 2010-08-18 EP disclosed
EP-1811037-A1 Process for the preparation of optically active cyclopentenones Chirogate International Inc. (TW) 2007-07-25 EP disclosed
US-20070166809-A1 Processes for the preparations of optically active cyclopentenones and cyclopentenones prepared therefrom CHIROGATE INTERNATIONAL INC. 2007-07-19 US disclosed
US-20070166809-A1 Processes for the preparations of optically active cyclopentenones and cyclopentenones prepared therefrom CHIROGATE INTERNATIONAL INC. 2007-07-19 US disclosed
US-20070166809-A1 Processes for the preparations of optically active cyclopentenones and cyclopentenones prepared therefrom CHIROGATE INTERNATIONAL INC. 2007-07-19 US disclosed