SCHEMBL20090040

SCHEMBL20090040

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.62
AKT1 P31749 2/20 0.62
ESR1 P03372 1/20 0.62
ADORA3 P0DMS8 1/20 0.62
CDC25A P30304 1/20 0.62
AGTR1 P30556 1/20 0.62
ADRA1A P35348 1/20 0.62
KCNH2 Q12809 1/20 0.62
SMN1; SMN2 Q16637 3/20 0.57
PRKD3 O94806 1/20 0.51
PRKCG P05129 1/20 0.51
PRKCB P05771 1/20 0.51
PRKCA P17252 1/20 0.51
PRKCH P24723 1/20 0.51
PRKCI P41743 1/20 0.51
PRKCE Q02156 1/20 0.51
PRKCQ Q04759 1/20 0.51
PRKCZ Q05513 1/20 0.51
PRKCD Q05655 1/20 0.51
PRKD1 Q15139 1/20 0.51

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 0.85 LMNA (0.59) LMNAAKT1ESR1ADORA3CDC25A
SCHEMBL9067683 0.83 LMNA (0.54) LMNAAKT1ESR1ADORA3CDC25A
SCHEMBL906188 0.83 LMNA (0.68) LMNAAKT1ESR1ADORA3CDC25A
SCHEMBL26756555 0.83 LMNA (0.73) LMNAAKT1ESR1ADORA3CDC25A
SCHEMBL4972574 0.83 LMNA (0.86) LMNAAKT1ESR1ADORA3CDC25A
SCHEMBL8561854 0.83 LMNA (0.61) LMNAAKT1ESR1ADORA3CDC25A
SCHEMBL1853865 0.82 SMN1; SMN2 (0.70) LMNAAKT1ESR1ADORA3CDC25A
SCHEMBL8588037 0.82 LMNA (0.61) LMNAAKT1ESR1ADORA3CDC25A
SCHEMBL19734900 0.80 SMN1; SMN2 (0.60) LMNAAKT1ESR1ADORA3CDC25A
SCHEMBL8911167 0.79 LMNA (0.58) 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
US-20230251257-A1 SUBSTRATE FOR IMMOBILIZING SUBSTANCE, AND USE THEREOF R-NANOBIO CO. LTD. (JP) 2023-08-10 US disclosed
US-20180113237-A1 AMPHIPHILIC BRANCHED POLYDIORGANOSILOXANE MACROMERS ALCON INC. (CH) 2018-04-26 US disclosed