SCHEMBL8911477

SCHEMBL8911477

C[N+](C)(C)CCOP(=O)([O-])OC(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.53
AKT1 P31749 2/20 0.53
ESR1 P03372 1/20 0.53
ADORA3 P0DMS8 1/20 0.53
CDC25A P30304 1/20 0.53
AGTR1 P30556 1/20 0.53
ADRA1A P35348 1/20 0.53
KCNH2 Q12809 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
ADRA1D P25100 1/20 0.43
PTAFR P25105 1/20 0.43
HTR1D P28221 1/20 0.43
HTR2C P28335 1/20 0.43
ADRA1B P35368 1/20 0.43
DRD3 P35462 1/20 0.43
TMEM97 Q5BJF2 1/20 0.43
PRKD3 O94806 1/20 0.41
PRKCG P05129 1/20 0.41
PRKCB P05771 1/20 0.41
PRKCA P17252 1/20 0.41

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
SCHEMBL19689041 0.80 LMNA (0.59) LMNAAKT1ESR1ADORA3CDC25A
SCHEMBL176355 0.80 LMNA (0.56) LMNAAKT1ESR1ADORA3CDC25A
SCHEMBL3524266 0.80 SMN1; SMN2 (0.48) LMNAAKT1ESR1ADORA3CDC25A
SCHEMBL8911167 0.79 LMNA (0.58) LMNAAKT1ESR1ADORA3CDC25A
SCHEMBL8561854 0.78 LMNA (0.61) LMNAAKT1ESR1ADORA3CDC25A
SCHEMBL1853865 0.77 SMN1; SMN2 (0.70) LMNAAKT1ESR1ADORA3CDC25A
Phosphocholine SCHEMBL8773459 0.77 SMN1; SMN2 (0.47) LMNAAKT1ESR1ADORA3CDC25A
SCHEMBL28965396 0.76 SMN1; SMN2 (0.73) LMNAAKT1ESR1ADORA3CDC25A
Ethylene Glycol SCHEMBL2050406 0.76 SMN1; SMN2 (0.48) LMNAAKT1ESR1ADORA3CDC25A
Ethylene Glycol SCHEMBL15862264 0.76 SMN1; SMN2 (0.48) LMNAAKT1ESR1ADORA3CDC25A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5591882-A Process for preparing organophosphates useful for increasing the ocular haemo- and biocompatibility of synthetic polymers BIOCOMPATIBLES LIMITED (GB) 1997-01-07 US disclosed
EP-0518959-B1 METHOD OF IMPROVING THE OCULAR HAEMO AND BIOCOMPATIBILITY OF SYNTHETIC POLYMERS BIOCOMPATIBLES LTD (GB) 1996-11-20 EP disclosed
US-5422402-A Surface treatment (of an acrylic, polypropylene, polyethylene, polyurethane, polysaccharide, or cellulosic material) with quaternary ammonium phosphate inner salt having a reactive functional group; contact lenses; blood filtration BIOCOMPATIBLES LIMITED (GB) 1995-06-06 US disclosed
EP-0518959-A1 METHOD OF IMPROVING THE OCULAR HAEMO AND BIOCOMPATIBILITY OF SYNTHETIC POLYMERS. BIOCOMPATIBLES LTD (GB) 1992-12-23 EP disclosed
WO-1991013639-A1 METHOD OF IMPROVING THE OCULAR HAEMO AND BIOCOMPATIBILITY OF SYNTHETIC POLYMERS BIOCOMPATIBLES LIMITED (GB) 1991-09-19 WO disclosed