SCHEMBL29028281

SCHEMBL29028281

C=CC(=O)OP(=O)(CCC)OCC[N+](C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 2/20 0.38
LMNA P02545 2/20 0.38
ESR1 P03372 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
CDC25A P30304 1/20 0.38
AGTR1 P30556 1/20 0.38
AKT1 P31749 1/20 0.38
KCNH2 Q12809 1/20 0.38
TSHR P16473 2/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
ADRA1D P25100 1/20 0.33
PTAFR P25105 1/20 0.33
HTR1D P28221 1/20 0.33
HTR2C P28335 1/20 0.33
ADRA1B P35368 1/20 0.33
DRD3 P35462 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33

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
SCHEMBL27496677 0.89 AKT1 (0.47) ADRA1ALMNAESR1ADORA3CDC25A
SCHEMBL30643927 0.88 ADRA1A (0.36) ADRA1ALMNAESR1ADORA3CDC25A
SCHEMBL28304656 0.85 LMNA (0.44) ADRA1ALMNAESR1ADORA3CDC25A
SCHEMBL28303618 0.83 AKT1 (0.47) ADRA1ALMNAESR1ADORA3CDC25A
SCHEMBL28304734 0.83 LMNA (0.40) ADRA1ALMNAESR1ADORA3CDC25A
SCHEMBL30536698 0.81 SMN1; SMN2 (0.38) ADRA1ALMNAESR1ADORA3CDC25A
SCHEMBL13101840 0.78 FABP3 (0.37) ADRA1ALMNAESR1ADORA3CDC25A
SCHEMBL27934068 0.78 LMNA (0.47) ADRA1ALMNAESR1ADORA3CDC25A
SCHEMBL28862009 0.76 LMNA (0.55) ADRA1ALMNAESR1ADORA3CDC25A
SCHEMBL27596997 0.76 TSHR (0.40) TSHRHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116024848-B Coffee grounds pulp packaging material for packaging coffee and preparation method thereof 大家智合(北京)网络科技股份有限公司 2024-03-26 CN claimed
CN-117467074-A Preparation and application of biodegradable nano-enzyme based on zwitterionic polymer gel 苏州健雄职业技术学院 2024-01-30 CN claimed
EP-4719751-A1 METHOD FOR MAKING EMBEDDED HYDROGEL CONTACT LENSES Alcon Inc. (CH) 2026-04-08 EP disclosed
EP-4719753-A1 METHOD FOR MAKING EMBEDDED HYDROGEL CONTACT LENSES Alcon Inc. (CH) 2026-04-08 EP disclosed
WO-2024246819-A1 METHOD FOR MAKING EMBEDDED HYDROGEL CONTACT LENSES ALCON INC. (CH) 2024-12-05 WO disclosed
CN-116327970-A Preparation and application of active oxygen response super-lubrication nano drug-carrying system 北京积水潭医院 2023-06-27 CN disclosed