SCHEMBL2223719

SCHEMBL2223719

O=C(O)CC(CP(=O)(O)O)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 3/20 0.59
GABBR1 Q9UBS5 3/20 0.59
MAPT P10636 2/20 0.49
SRC P12931 1/20 0.48
FOLH1 Q04609 1/20 0.46
KDM4E B2RXH2 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
RECQL P46063 1/20 0.45
CYP1A2 P05177 2/20 0.45
LMNA P02545 2/20 0.45
THRB P10828 1/20 0.45
PMP22 Q01453 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ACP3 P15309 1/20 0.44
ALDH1A1 P00352 1/20 0.42
CYP2C19 P33261 2/20 0.42
CYP3A4 P08684 1/20 0.42
ADORA3 P0DMS8 1/20 0.42

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
Butane SCHEMBL7716649 0.93 GABBR2 (0.53) GABBR2GABBR1MAPTSRCFOLH1
SCHEMBL503819 0.82 GABBR2 (0.76) GABBR2GABBR1MAPTKDM4EMEN1
SCHEMBL10789520 0.80 HPGD (0.46) MAPTKDM4ERECQLNPSR1ALDH1A1
Hydrochloric Acid SCHEMBL7092228 0.80 GABBR2 (0.73) GABBR2GABBR1MAPTKDM4EMEN1
SCHEMBL6734410 0.80 GABBR2 (0.73) GABBR2GABBR1MAPTKDM4EMEN1
SCHEMBL9227043 0.77 MAPT (0.58) GABBR2GABBR1MAPTLMNANPSR1
SCHEMBL11297322 0.77 ACP3 (0.61) GABBR2GABBR1SRCACP3CYP2C19
SCHEMBL3728800 0.76 GABBR2 (0.68) GABBR2GABBR1MAPTKDM4EMEN1
SCHEMBL875769 0.76 SRC (0.60) SRCACP3
SCHEMBL781228 0.75 ACP3 (0.46) MAPTSRCCYP1A2LMNATHRB

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
WO-2011085445-A1 FLOTATION REAGENTS TEEBEE HOLDINGS PTY LTD (AU) 2011-07-21 WO claimed
WO-2011085445-A1 FLOTATION REAGENTS TEEBEE HOLDINGS PTY LTD (AU) 2011-07-21 WO disclosed