SCHEMBL18544243

SCHEMBL18544243

CCCCC(CCCC)(OP(O)O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.38
ESR1 P03372 2/20 0.37
ESR2 Q92731 2/20 0.37
KCNN4 O15554 1/20 0.36
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
SIGMAR1 Q99720 2/20 0.35
GAA P10253 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALDH1A1 P00352 1/20 0.33
ALOX15 P16050 1/20 0.33
PCSK9 Q8NBP7 1/20 0.33
LTA4H P09960 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM3 P20309 1/20 0.33
ATM Q13315 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 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
SCHEMBL9304148 0.83 KIF11 (0.38) KIF11ESR1ESR2KCNN4KMT2A
SCHEMBL3890290 0.82 KCNN4 (0.41) KCNN4GAAALDH1A1ALOX15CHRM2
SCHEMBL11124050 0.78 GAA (0.40) KIF11KCNN4KMT2AMEN1SIGMAR1
SCHEMBL9446569 0.77 GAA (0.39) KMT2AMEN1SIGMAR1GAAALDH1A1
SCHEMBL746061 0.77 GAA (0.39) KMT2AMEN1SIGMAR1GAAALDH1A1
SCHEMBL9446572 0.77 GAA (0.39) KMT2AMEN1SIGMAR1GAAALDH1A1
SCHEMBL128272 0.77 GAA (0.39) KMT2AMEN1SIGMAR1GAAALDH1A1
SCHEMBL1406141 0.77 GAA (0.39) KMT2AMEN1SIGMAR1GAAALDH1A1
SCHEMBL7107591 0.77 GAA (0.39) KMT2AMEN1SIGMAR1GAAALDH1A1
SCHEMBL6059941 0.77 GAA (0.39) KMT2AMEN1SIGMAR1GAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180244865-A1 INCREASED EFFICIENCY DESULFURIZATION REAGENTS ARLANXEO DEUTSCHLAND GMBH (DE) 2018-08-30 US disclosed
EP-3341432-A1 INCREASED EFFICIENCY DESULFURIZATION REAGENTS ARLANXEO Deutschland GmbH (DE) 2018-07-04 EP disclosed
WO-2017036721-A1 INCREASED EFFICIENCY DESULFURIZATION REAGENTS ARLANXEO DEUTSCHLAND GMBH (DE) 2017-03-09 WO disclosed
EP-3135712-A1 INCREASED EFFICIENCY OF DESULFURIZATION REAGENTS ARLANXEO Deutschland GmbH (DE) 2017-03-01 EP disclosed