SCHEMBL15547776

SCHEMBL15547776

C[N+](C)(CCCN)CCCS(=O)(=O)[O-]

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BBOX1 O75936 4/20 0.64
LMNA P02545 2/20 0.58
GMNN O75496 1/20 0.58
ALDH1A1 P00352 1/20 0.58
TP53 P04637 1/20 0.58
TSHR P16473 1/20 0.58
MAPK1 P28482 1/20 0.58
THPO P40225 1/20 0.58
HBB P68871 1/20 0.58
PMP22 Q01453 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
APP P05067 1/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
GRK2 P25098 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ENPEP Q07075 1/20 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
SCHEMBL15380499 0.92 BBOX1 (0.64) BBOX1LMNAGMNNALDH1A1TP53
SCHEMBL26789436 0.81 BBOX1 (0.73) BBOX1LMNAMEN1POLBGRK2
SCHEMBL25663649 0.81 BBOX1 (0.73) BBOX1LMNAGMNNALDH1A1TP53
SCHEMBL13258314 0.79 APP (0.60) BBOX1LMNAGMNNALDH1A1TP53
SCHEMBL21408834 0.79 BBOX1 (0.64) BBOX1LMNAGMNNALDH1A1TP53
SCHEMBL9107831 0.79 BBOX1 (0.64) BBOX1LMNAGMNNALDH1A1TP53
SCHEMBL16211685 0.79 BBOX1 (0.64) BBOX1LMNAGMNNALDH1A1TP53
Ethyl Dimethyl Ammonio Propane Sulfonate SCHEMBL17699044 0.78 BBOX1 (1.00) BBOX1LMNAGMNNALDH1A1TP53
SCHEMBL60617 0.78 BBOX1 (0.68) BBOX1KMT2A
SCHEMBL61271 0.78 BBOX1 (0.68) BBOX1KMT2A

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
EP-2713163-B1 Methods for isolating vesicles SAMSUNG ELECTRONICS CO LTD (KR) 2019-05-08 EP claimed
EP-4367164-A1 METAL-CONTAINING POLYMERS FOR MASS CYTOMETRY The Governing Council of the University of Toronto (CA) 2024-05-15 EP disclosed
WO-2023279211-A1 METAL-CONTAINING POLYMERS FOR MASS CYTOMETRY THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2023-01-12 WO disclosed
EP-2855545-A2 POLYMERS AND NANOGEL MATERIALS AND METHODS FOR MAKING AND USING THE SAME Johnson & Johnson Vision Care Inc. (US) 2015-04-08 EP disclosed
CN-104350076-A Polymer and nanogel materials, and methods of making and using the same JOHNSON & JOHNSON VISION CARE 2015-02-11 CN disclosed
WO-2013177506-A2 POLYMERS AND NANOGEL MATERIALS AND METHODS FOR MAKING AND USING THE SAME JOHNSON & JOHNSON VISION CARE, INC. (US) 2013-11-28 WO disclosed