SCHEMBL4442963

SCHEMBL4442963

CCCCS(=O)(=O)[O-].CC[N+](C)(C(C)C)C(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BBOX1 O75936 3/20 0.50
ENPEP Q07075 1/20 0.35
LMNA P02545 3/20 0.34
ALDH1A1 P00352 2/20 0.34
TP53 P04637 2/20 0.34
MAPK1 P28482 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
GMNN O75496 1/20 0.34
TSHR P16473 1/20 0.34
THPO P40225 1/20 0.34
HBB P68871 1/20 0.34
PMP22 Q01453 1/20 0.34
EPHX2 P34913 1/20 0.33
POLB P06746 2/20 0.32
NPC1 O15118 1/20 0.32
S1PR2 O95136 1/20 0.32
S1PR4 O95977 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
XBP1 P17861 1/20 0.32

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
SCHEMBL6567384 0.93 BBOX1 (0.47) BBOX1EPHX2CA2
SCHEMBL4444971 0.86 BBOX1 (0.50) BBOX1ENPEPLMNAALDH1A1TP53
SCHEMBL1030139 0.84 BBOX1 (0.48) BBOX1ENPEPLMNAALDH1A1TP53
Fluoride SCHEMBL29057153 0.82 BBOX1 (0.47) BBOX1ENPEPLMNAALDH1A1TP53
SCHEMBL27491036 0.81 TP53 (0.37) LMNAALDH1A1TP53MAPK1SMN1; SMN2
Tetrylammonium SCHEMBL5611999 0.77 BBOX1 (0.54) BBOX1LMNAALDH1A1TP53MAPK1
SCHEMBL17351201 0.77 BBOX1 (0.34) BBOX1
SCHEMBL2150446 0.77 BBOX1 (0.46) BBOX1EPHX2CA2
SCHEMBL59925 0.76
SCHEMBL6958289 0.76 BBOX1 (0.50) BBOX1ENPEPLMNAALDH1A1TP53

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-1290106-B1 ANTISTATIC AGENT BAYER MATERIALSCIENCE AG (DE) 2009-08-12 EP claimed
EP-1290106-B1 ANTISTATIC AGENT BAYER MATERIALSCIENCE AG (DE) 2009-08-12 EP disclosed
EP-1404520-A2 MULTI-LAYERED SYSTEMS CONTAINING ANTI-STATIC MOULDING MATERIALS Bayer MaterialScience AG (DE) 2004-04-07 EP disclosed
EP-1290106-A1 ANTISTATIC AGENT Bayer Aktiengesellschaft (DE) 2003-03-12 EP disclosed
WO-2002085613-A2 MULTI-LAYERED SYSTEMS CONTAINING ANTI-STATIC MOULDING MATERIALS BAYER AKTIENGESELLSCHAFT (DE) 2002-10-31 WO disclosed
WO-2001085869-A1 ANTISTATIC AGENT BAYER AKTIENGESELLSCHAFT (DE) 2001-11-15 WO disclosed