SCHEMBL27508185

SCHEMBL27508185

NCCCC(O)OP(=O)(O)OP(=O)(O)O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BLM P54132 3/20 0.34
LMNA P02545 2/20 0.34
CYP3A4 P08684 1/20 0.34
NFKB1 P19838 1/20 0.34
PMP22 Q01453 1/20 0.34
GABBR2 O75899 3/20 0.34
GABBR1 Q9UBS5 3/20 0.34
GABRR1 P24046 1/20 0.33
CYP1A2 P05177 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TSHR P16473 1/20 0.32
THPO P40225 1/20 0.32
FDPS P14324 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ITPR3 Q14573 1/20 0.31
ITPR1 Q14643 1/20 0.31
SMPD1 P17405 2/20 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
SCHEMBL27481354 0.89 GABBR2 (0.36) BLMLMNACYP3A4NFKB1PMP22
SCHEMBL60413 0.84 LMNA (0.39) BLMLMNACYP3A4NFKB1PMP22
SCHEMBL17311823 0.81 CYP1A2 (0.36) BLMLMNACYP3A4NFKB1PMP22
SCHEMBL4059932 0.79 SMPD1 (0.56) FDPSSMPD1
SCHEMBL7840417 0.79 SMPD1 (0.56) FDPSSMPD1
SCHEMBL3775302 0.77 FDPS (0.40) BLMFDPSTDP1SMPD1
SCHEMBL17311820 0.76 GSR (0.37) BLMLMNACYP3A4NFKB1PMP22
SCHEMBL15102979 0.75 GSR (0.36) BLMLMNACYP3A4NFKB1PMP22
SCHEMBL15103003 0.75 GSR (0.36) BLMLMNACYP3A4NFKB1PMP22
SCHEMBL17311809 0.75 GSR (0.36) BLMLMNACYP3A4NFKB1PMP22

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
CN-1155387-C Phosphonate medicine for treating osteoporosis and bone cancer transfer 中国核动力研究设计院 2004-06-30 CN disclosed
CN-1302609-A Phosphonate medicine for treating osteoporosis and bone cancer transfer CHINESE DESIGN INST OF NUCLEAR (CN) 2001-07-11 CN disclosed