SCHEMBL9650951

SCHEMBL9650951

C=CCCCCCCCCCCCCCCCCCCCCCOP(=O)([O-])OCC[N+](C)(C)C

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.67
AKT1 P31749 2/20 0.67
ESR1 P03372 1/20 0.67
ADORA3 P0DMS8 1/20 0.67
CDC25A P30304 1/20 0.67
AGTR1 P30556 1/20 0.67
ADRA1A P35348 1/20 0.67
KCNH2 Q12809 1/20 0.67
LPAR3 Q9UBY5 2/20 0.51
LPAR2 Q9HBW0 1/20 0.51
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
ALDH1A1 P00352 2/20 0.49
PRKD3 O94806 1/20 0.49
PRKCG P05129 1/20 0.49
PRKCB P05771 1/20 0.49
PRKCA P17252 1/20 0.49
PRKCH P24723 1/20 0.49
PRKCI P41743 1/20 0.49

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
SCHEMBL9651737 1.00 LMNA (0.67) LMNAAKT1ESR1ADORA3CDC25A
SCHEMBL9649661 1.00 LMNA (0.67) LMNAAKT1ESR1ADORA3CDC25A
SCHEMBL29613185 0.98 LMNA (0.64) LMNAAKT1ESR1ADORA3CDC25A
SCHEMBL29613186 0.98 LMNA (0.64) LMNAAKT1ESR1ADORA3CDC25A
SCHEMBL4972574 0.87 LMNA (0.86) LMNAAKT1ESR1ADORA3CDC25A
SCHEMBL22568210 0.84 LPAR3 (0.60) LMNAAKT1ESR1ADORA3CDC25A
SCHEMBL31577380 0.84 SMN1; SMN2 (0.57) LMNAAKT1MEN1KMT2ASMN1; SMN2
SCHEMBL23016878 0.82 LMNA (0.82) LMNAAKT1ESR1ADORA3CDC25A
Elaidylphosphocholine SCHEMBL10415339 0.82 LMNA (0.82) LMNAAKT1ESR1ADORA3CDC25A
Oleylphosphocholine SCHEMBL3332097 0.82 LMNA (0.82) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0292760-B1 ORGANOPOLYSILOXANES CONTAINING A PHOSPHOLIPID-LIKE STRUCTURE AND A PROCESS FOR THEIR PREPARATION TORAY SILICONE COMPANY, LIMITED (JP) 1992-11-11 EP disclosed
EP-0292760-A2 Organopolysiloxanes containing a phospholipid-like structure and a process for their preparation TORAY SILICONE COMPANY, LIMITED (JP) 1988-11-30 EP disclosed