SCHEMBL21959040

SCHEMBL21959040

COC(CCCN)(P(=O)(O)O)P(=O)(O)O

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FDPS P14324 9/20 0.54
PDE3A Q14432 2/20 0.54
LMNA P02545 3/20 0.41
GABBR2 O75899 3/20 0.41
GABBR1 Q9UBS5 3/20 0.41
ADRB3 P13945 1/20 0.41
PDE4D Q08499 1/20 0.41
CYP1A2 P05177 1/20 0.41
TSHR P16473 1/20 0.41
THPO P40225 1/20 0.41
BLM P54132 2/20 0.40
SMPD1 P17405 2/20 0.39
CYP3A4 P08684 1/20 0.39
NFKB1 P19838 1/20 0.39
PMP22 Q01453 1/20 0.39
GABRR1 P24046 1/20 0.38

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
SCHEMBL6258776 0.85 FDPS (0.44) FDPSPDE3ALMNAGABBR2GABBR1
SCHEMBL1130279 0.84 FDPS (0.43) FDPSPDE3ALMNAGABBR2GABBR1
SCHEMBL5277592 0.82 FDPS (0.58) FDPSPDE3ALMNAGABBR2GABBR1
SCHEMBL17499972 0.78 FDPS (0.54) FDPSPDE3ALMNAGABBR2GABBR1
SCHEMBL27172691 0.74 FDPS (0.44) FDPSPDE3ALMNAGABBR2GABBR1
SCHEMBL17915728 0.73 FDPS (0.58) FDPSPDE3ALMNAGABBR2GABBR1
SCHEMBL2981375 0.72 FDPS (0.43) FDPSPDE3ALMNAGABBR2GABBR1
SCHEMBL6939592 0.72 FDPS (0.47) FDPSPDE3ALMNAGABBR2GABBR1
SCHEMBL8050464 0.72 FDPS (0.68) FDPSPDE3ALMNAGABBR2GABBR1
SCHEMBL4276586 0.72 FDPS (0.47) FDPSPDE3ALMNAGABBR2GABBR1

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-10631557-B2 Preservative system for acidic beverages based on sequestrants PEPSICO, INC. (US) 2020-04-28 US disclosed