SCHEMBL21758993

SCHEMBL21758993

CCCNC(=O)CC(O)(P(=O)(O)O)P(=O)(O)O

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 3/20 0.55
MMP1 P03956 2/20 0.55
MMP3 P08254 1/20 0.55
MMP9 P14780 1/20 0.55
FDPS P14324 13/20 0.48
GGPS1 O95749 7/20 0.44
MCL1 Q07820 1/20 0.42
PDE3A Q14432 2/20 0.39
LMNA P02545 1/20 0.39
ADRB3 P13945 1/20 0.39
PDE4D Q08499 1/20 0.39
KDM4C Q9H3R0 1/20 0.36
AGTR1 P30556 1/20 0.36
OPRM1 P35372 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
EPHX1 P07099 1/20 0.35

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 0.77 MCL1 (0.47) MMP2MMP1MMP3MMP9MCL1
SCHEMBL2730881 0.74 MCL1 (0.48) MMP2MMP1MMP3MMP9MCL1
SCHEMBL2836345 0.73 MCL1 (0.44) MMP2MMP1MMP3MMP9MCL1
SCHEMBL5987745 0.72 MCL1 (0.47) MMP2MMP1MMP3MMP9MCL1
SCHEMBL9205480 0.72 MMP2 (0.56) MMP2MMP1MMP3MMP9MCL1
SCHEMBL6313039 0.72 MCL1 (0.42) MMP2MMP1MMP3MMP9MCL1
SCHEMBL18330274 0.72 FDPS (0.58) MMP2MMP1FDPSGGPS1PDE3A
SCHEMBL127951 0.72 MEN1 (0.55) MMP2MMP1FDPSGGPS1PDE3A
SCHEMBL21307803 0.71 MCL1 (0.45) MMP2MMP1MMP3MMP9MCL1
SCHEMBL20928420 0.71 MCL1 (0.45) MMP2MMP1MMP3MMP9MCL1

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-3371203-B1 BORTEZOMIB CONJUGATES AND METHODS USING SAME UNIV ROCHESTER (US) 2020-02-26 EP disclosed