SCHEMBL9067694

SCHEMBL9067694

C=C(C)C(=O)OCCCCCCCCCCCO[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.70
SMN1; SMN2 Q16637 2/20 0.69
NR5A2 O00482 1/20 0.69
NR5A1 Q13285 1/20 0.69
RECQL P46063 1/20 0.58
ADRA1D P25100 1/20 0.56
PTAFR P25105 1/20 0.56
HTR1D P28221 1/20 0.56
HTR2C P28335 1/20 0.56
ADRA1B P35368 1/20 0.56
DRD3 P35462 1/20 0.56
TMEM97 Q5BJF2 1/20 0.56
FABP3 P05413 1/20 0.55
MAPK1 P28482 5/20 0.54
MEN1 O00255 3/20 0.54
GMNN O75496 3/20 0.54
LMNA P02545 3/20 0.54
BLM P54132 3/20 0.54
KMT2A Q03164 3/20 0.54
NPSR1 Q6W5P4 3/20 0.54

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
SCHEMBL11996375 0.92 SMN1; SMN2 (0.82) MAPTSMN1; SMN2NR5A2NR5A1RECQL
SCHEMBL22479276 0.92 SMN1; SMN2 (0.82) MAPTSMN1; SMN2NR5A2NR5A1RECQL
SCHEMBL19092850 0.92 SMN1; SMN2 (0.82) MAPTSMN1; SMN2NR5A2NR5A1RECQL
SCHEMBL1296022 0.89 NR5A2 (0.74) MAPTSMN1; SMN2NR5A2NR5A1RECQL
SCHEMBL9067446 0.88 ADRA1D (0.62) MAPTSMN1; SMN2NR5A2NR5A1RECQL
SCHEMBL6811206 0.86 SMN1; SMN2 (0.73) MAPTSMN1; SMN2NR5A2NR5A1RECQL
SCHEMBL122604 0.86 SMN1; SMN2 (0.73) MAPTSMN1; SMN2NR5A2NR5A1RECQL
SCHEMBL19821335 0.86 SMN1; SMN2 (0.73) MAPTSMN1; SMN2NR5A2NR5A1RECQL
SCHEMBL2297058 0.85 SMN1; SMN2 (0.82) MAPTSMN1; SMN2NR5A2NR5A1RECQL
SCHEMBL19629019 0.85 SMN1; SMN2 (0.96) MAPTSMN1; SMN2NR5A2NR5A1RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0559809-B1 SURFACE MODIFICATION OF POLYMER OBJECTS BAUSCH & LOMB (US) 1996-11-06 EP disclosed
US-5525691-A Surface modification of polymeric objects BAUSCH & LOMB INCORPORATED (US) 1996-06-11 US disclosed
US-5364918-A Surface modification of polymer objects BAUSCH & LOMB INCORPORATED (US) 1994-11-15 US disclosed
EP-0559820-A1 SURFACE COATING OF POLYMER OBJECTS BAUSCH & LOMB INCORPORATED (US) 1993-09-15 EP disclosed
US-5219965-A Adding polymerizable surfactant to monomer mixture; contact lenses BAUSCH & LOMB INCORPORATED (US) 1993-06-15 US disclosed
US-5135297-A Immersing a contact lens in an aqueous dispersion of a polymerizable surfactant macromer, a crosslinker and a free radical catalyst and irradiating with UV light; wetting agents BAUSCH & LOMB INCORPORATED (US) 1992-08-04 US disclosed
WO-1992009644-A1 SURFACE MODIFICATION OF POLYMER OBJECTS BAUSCH & LOMB INCORPORATED (US) 1992-06-11 WO disclosed
WO-1992009650-A1 SURFACE COATING OF POLYMER OBJECTS BAUSCH & LOMB INCORPORATED (US) 1992-06-11 WO disclosed