SCHEMBL20199370

SCHEMBL20199370

CC(C)(C)CCC[N+](C)(C)CCCS(=O)(=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BBOX1 O75936 3/20 0.60
LMNA P02545 2/20 0.38
POLB P06746 2/20 0.38
GRK2 P25098 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GMNN O75496 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
THPO P40225 1/20 0.34
HBB P68871 1/20 0.34
PMP22 Q01453 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
APAF1 O14727 1/20 0.33
DNMT1 P26358 1/20 0.33
PTPN7 P35236 1/20 0.33
RECQL P46063 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
SCHEMBL12558680 0.81 BBOX1 (0.37) BBOX1LMNAPOLBGRK2L3MBTL1
SCHEMBL12558676 0.78 HTT (0.41) BBOX1KMT2ACHRM2CHRM4CHRM5
SCHEMBL25663649 0.78 BBOX1 (0.73) BBOX1LMNAPOLBGRK2L3MBTL1
SCHEMBL26789436 0.78 BBOX1 (0.73) BBOX1LMNAPOLBGRK2L3MBTL1
SCHEMBL9107831 0.76 BBOX1 (0.64) BBOX1LMNAPOLBGRK2L3MBTL1
SCHEMBL15547776 0.76 BBOX1 (0.64) BBOX1LMNAPOLBGRK2L3MBTL1
SCHEMBL21408834 0.76 BBOX1 (0.64) BBOX1LMNAPOLBGRK2L3MBTL1
SCHEMBL16211685 0.76 BBOX1 (0.64) BBOX1LMNAPOLBGRK2L3MBTL1
SCHEMBL15380499 0.76 BBOX1 (0.64) BBOX1LMNAPOLBGRK2L3MBTL1
Ethyl Dimethyl Ammonio Propane Sulfonate SCHEMBL17699044 0.75 BBOX1 (1.00) BBOX1LMNAPOLBGRK2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180149977-A1 COMPOSITION FOR COATING RESIST PATTERN NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2018-05-31 US disclosed