SCHEMBL11331122

SCHEMBL11331122

CC(N1CCOCCOCCN(C(C)P(=O)(O)O)CCOCCOCC1)P(=O)(O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.43
MMP1 P03956 1/20 0.41
MMP3 P08254 1/20 0.41
MMP8 P22894 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
PKM P14618 1/20 0.40
ALDH1A1 P00352 3/20 0.36
MAPT P10636 3/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
FDPS P14324 2/20 0.34
TSHR P16473 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
KCNA5 P22460 1/20 0.33
GAA P10253 1/20 0.33
USP2 O75604 1/20 0.32

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
SCHEMBL4413973 0.78 FDPS (0.56) ANPEPMMP1MMP3MMP8ALDH1A1
SCHEMBL6438981 0.76 FDPS (0.38) MMP1MMP8FDPS
Morpholinomethylenediphosphonic Acid SCHEMBL3058156 0.76 FDPS (0.60) ANPEPMMP1MMP3MMP8SMN1; SMN2
Morpholinomethylenediphosphonic Acid SCHEMBL9156009 0.74 FDPS (0.58) ANPEPMMP1MMP3MMP8SMN1; SMN2
SCHEMBL5691930 0.72 ANPEP (0.53) ANPEPMMP1MMP3MMP8SMN1; SMN2
SCHEMBL7450835 0.72 FDPS (0.35) ANPEPFDPS
SCHEMBL4881726 0.69 MMP8 (0.36) MMP1MMP8FDPS
SCHEMBL18537934 0.69 KDM4E (0.41) ANPEPALDH1A1MAPTFDPS
SCHEMBL24590305 0.69 SMN1; SMN2 (0.40) SMN1; SMN2PKMALDH1A1MAPTLMNA
SCHEMBL14261286 0.69 SMN1; SMN2 (0.40) SMN1; SMN2PKMALDH1A1MAPTLMNA

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-4288333-A CROWN ETHERS SHELL OIL COMPANY (US) 1981-09-08 US disclosed