SCHEMBL2520167

SCHEMBL2520167

CC(=C[C@@H]1[C@@H](C(=O)OC(C)(C)C)C1(C)C)/C=N/O

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP1A2 P05177 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 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
SCHEMBL12212691 1.00 LMNA (0.41) LMNAMEN1KMT2ATDP1CYP1A2
SCHEMBL12971302 0.83 LMNA (0.44) LMNAKMT2ATDP1CYP1A2TSHR
SCHEMBL2524902 0.83 LMNA (0.44) LMNAMEN1KMT2ATDP1CYP1A2
SCHEMBL14245578 0.83 LMNA (0.44) LMNAKMT2ATDP1CYP1A2TSHR
SCHEMBL14245579 0.83 LMNA (0.44) LMNAKMT2ATDP1CYP1A2TSHR
SCHEMBL1073148 0.83 LMNA (0.44) LMNAMEN1KMT2ATDP1CYP1A2
SCHEMBL12971300 0.83 LMNA (0.44) LMNAKMT2ATDP1CYP1A2TSHR
SCHEMBL1073150 0.83 LMNA (0.44) LMNAMEN1KMT2ATDP1CYP1A2
SCHEMBL294875 0.81 LMNA (0.60) LMNAMEN1KMT2ATDP1CYP1A2
SCHEMBL12212692 0.80 LMNA (0.41) LMNAMEN1KMT2ATDP1

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
US-8039499-B2 Ester compound and its use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-10-18 US disclosed