SCHEMBL28809691

SCHEMBL28809691

CCOC(=O)C1=C(C(=O)OCC)C2CCC1C2(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.48
LMNA P02545 3/20 0.48
GAA P10253 2/20 0.46
POLB P06746 1/20 0.46
ALDH1A1 P00352 5/20 0.44
TSHR P16473 3/20 0.44
HPGD P15428 2/20 0.44
HSD17B10 Q99714 2/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.44
ALOX15 P16050 1/20 0.44
KMT2A Q03164 1/20 0.44
HTT P42858 3/20 0.42
MTOR P42345 1/20 0.41
RAB9A P51151 1/20 0.41
DHFR P00374 1/20 0.41
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39

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
SCHEMBL13517741 0.79 PRKCA (0.40) KDM4ELMNAGAAPOLBALDH1A1
SCHEMBL13517488 0.77 SMN1; SMN2 (0.37) KDM4ELMNAGAAALDH1A1TSHR
SCHEMBL31296900 0.74 LMNA (0.50) KDM4ELMNAGAAPOLBALDH1A1
SCHEMBL5429764 0.71 LMNA (0.47) KDM4ELMNAGAAPOLBALDH1A1
SCHEMBL2328254 0.71 LMNA (0.47) KDM4ELMNAGAAPOLBALDH1A1
SCHEMBL4934111 0.70 MAPT (0.33) KDM4EGAAPOLBALDH1A1HPGD
SCHEMBL4934117 0.70 MAPT (0.33) KDM4EGAAPOLBALDH1A1HPGD
SCHEMBL31303968 0.69 KDM4E (0.46) KDM4ELMNAGAAPOLBALDH1A1
SCHEMBL9420398 0.67 KDM4E (0.40) KDM4ELMNAGAAPOLBALDH1A1
SCHEMBL16752384 0.66 TSHR (0.65) KDM4EPOLBALDH1A1TSHRHSD17B10

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
CN-103509142-A Solid catalyst for propylene polymerization and a method for preparation of polypropylene SAMSUNG TOTAL PETROCHEMICALS 2014-01-15 CN disclosed