SCHEMBL9107831

SCHEMBL9107831

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

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BBOX1 O75936 3/20 0.64
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
ALOX15 P16050 1/20 0.44
ENPEP Q07075 2/20 0.37
LMNA P02545 2/20 0.37
GMNN O75496 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
THPO P40225 1/20 0.37
HBB P68871 1/20 0.37
PMP22 Q01453 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
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

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
SCHEMBL20945447 0.88 BBOX1 (0.60) BBOX1KDM4EMAPTALOX15ENPEP
SCHEMBL26789436 0.81 BBOX1 (0.73) BBOX1LMNAMEN1POLBGRK2
SCHEMBL25663649 0.81 BBOX1 (0.73) BBOX1LMNAGMNNALDH1A1TP53
SCHEMBL16211685 0.79 BBOX1 (0.64) BBOX1LMNAGMNNALDH1A1TP53
SCHEMBL21408834 0.79 BBOX1 (0.64) BBOX1KDM4EMAPTALOX15LMNA
SCHEMBL9889324 0.79 PTGS1 (0.46) BBOX1LMNAHTT
SCHEMBL15380499 0.79 BBOX1 (0.64) BBOX1KDM4EMAPTALOX15ENPEP
SCHEMBL15547776 0.79 BBOX1 (0.64) BBOX1ENPEPLMNAGMNNALDH1A1
Ethyl Dimethyl Ammonio Propane Sulfonate SCHEMBL17699044 0.78 BBOX1 (1.00) BBOX1LMNAGMNNALDH1A1TP53
SCHEMBL61271 0.78 BBOX1 (0.68) BBOX1KMT2AHTT

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-20120141797-A1 Zwitterion-Linker Coatings for Nano-objects in Solutions of Multivalent Counterions BROOKHAVEN SCIENCE ASSOCIATES, LLC (US) 2012-06-07 US claimed
US-20120141797-A1 Zwitterion-Linker Coatings for Nano-objects in Solutions of Multivalent Counterions BROOKHAVEN SCIENCE ASSOCIATES, LLC (US) 2012-06-07 US disclosed