SCHEMBL9767458

SCHEMBL9767458

CCN(CC)C(=O)C(OP(=O)(O)O)OP(=O)(O)O

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.45
MMP2 P08253 2/20 0.45
MMP3 P08254 2/20 0.45
MMP8 P22894 2/20 0.45
SMPD1 P17405 3/20 0.37
LMNA P02545 1/20 0.37
FDPS P14324 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.31
PTPN1 P18031 1/20 0.30
DPP4 P27487 1/20 0.30

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
SCHEMBL28397816 0.70 CYP2D6 (0.41) SMPD1LMNAGAAALDH1A1
SCHEMBL25019701 0.68 SMPD1 (0.35) MMP1MMP2MMP3MMP8SMPD1
SCHEMBL17239410 0.67 FDPS (0.50) MMP1MMP2MMP3MMP8SMPD1
SCHEMBL8078770 0.65 FDPS (0.48) MMP1MMP2MMP3MMP8SMPD1
SCHEMBL3200366 0.64 LMNA (0.42) MMP1MMP2MMP3MMP8LMNA
SCHEMBL9689376 0.64 LMNA (0.42) MMP1MMP2MMP3MMP8LMNA
SCHEMBL15709615 0.64 PGK1 (0.38) SMPD1PTPN1
SCHEMBL3414582 0.64 LAP3 (0.42) SMPD1FDPSPTPN1
SCHEMBL10477499 0.64 LMNA (0.48) MMP1MMP2MMP3MMP8LMNA
SCHEMBL1615608 0.62 LMNA (0.40) MMP1MMP2MMP3MMP8LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3225299-A None JP disclosed
JP-H03225299-A ADSORBENT FOR REMOVING TRANSURANIC ELEMENTS AND PRODUCTION THEREOF MATSUMOTO SHIRO 1991-10-04 JP disclosed