SCHEMBL20197702

SCHEMBL20197702

CCCNC(=O)CC(O)(CC)OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.40
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP9 P14780 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
KMT2A Q03164 2/20 0.33
EPHX1 P07099 2/20 0.33
MEN1 O00255 1/20 0.33
BCHE P06276 1/20 0.33
GAA P10253 2/20 0.33
CNR1 P21554 1/20 0.33
CASP2 P42575 1/20 0.32
LMNA P02545 1/20 0.32
FAAH O00519 1/20 0.32
TSHR P16473 2/20 0.32
HSD17B10 Q99714 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 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
SCHEMBL4311511 0.74 MCL1 (0.47) MCL1MMP1MMP2MMP3MMP9
SCHEMBL21307803 0.72 MCL1 (0.45) MCL1MMP1MMP2MMP3MMP9
SCHEMBL4076704 0.71 HMGCR (0.44) TSHR
SCHEMBL2730881 0.71 MCL1 (0.48) MCL1MMP1MMP2MMP3MMP9
SCHEMBL2836345 0.71 MCL1 (0.44) MCL1MMP1MMP2MMP3MMP9
SCHEMBL25062344 0.70 MCL1 (0.40) MCL1MMP1MMP2MMP3MMP9
SCHEMBL5987745 0.70 MCL1 (0.47) MCL1MMP1MMP2MMP3MMP9
SCHEMBL21758993 0.69 MMP2 (0.55) MCL1MMP1MMP2MMP3MMP9
SCHEMBL6313039 0.69 MCL1 (0.42) MCL1MMP1MMP2MMP3MMP9
SCHEMBL20928420 0.68 MCL1 (0.45) MCL1MMP1MMP2MMP3MMP9

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
EP-2917195-B9 SPLICEOSTATIN ANALOGS PFIZER (US) 2018-05-30 EP disclosed