SCHEMBL15908103

SCHEMBL15908103

Cc1ccc(OCC(=O)OCCOC(=O)COc2ccc(C)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.62
LMNA P02545 1/20 0.62
L3MBTL1 Q9Y468 3/20 0.59
NPC1 O15118 2/20 0.58
TDP1 Q9NUW8 1/20 0.58
NPSR1 Q6W5P4 1/20 0.56
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C19 P33261 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
MAPT P10636 1/20 0.54
HPGD P15428 1/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
BLM P54132 1/20 0.54
PMP22 Q01453 1/20 0.54
WDR5 P61964 1/20 0.52

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
SCHEMBL1107148 0.89 GAA (0.70) GAALMNAL3MBTL1NPC1TDP1
SCHEMBL16270203 0.87 GAA (0.50) GAALMNAL3MBTL1NPC1TDP1
SCHEMBL15908118 0.86 L3MBTL1 (0.49) GAALMNAL3MBTL1NPC1TDP1
SCHEMBL16270225 0.84 L3MBTL1 (0.48) GAALMNAL3MBTL1NPC1TDP1
SCHEMBL12646476 0.84 GAA (0.64) GAALMNAL3MBTL1NPC1TDP1
SCHEMBL4217211 0.83 GAA (0.49) GAALMNAL3MBTL1NPC1TDP1
SCHEMBL4217209 0.83 GAA (0.49) GAALMNAL3MBTL1NPC1TDP1
SCHEMBL5111012 0.82 LMNA (0.69) GAALMNAL3MBTL1NPC1TDP1
SCHEMBL24871065 0.81 HPGD (0.57) GAALMNAL3MBTL1NPC1TDP1
SCHEMBL1550768 0.81 GAA (0.60) GAALMNAL3MBTL1NPC1TDP1

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-20140213688-A1 Absorbable Multi-Putty Bone Cements and Hemostatic Compositions and Methods of Use ABYRX, INC. (US) 2014-07-31 US disclosed
US-20140213688-A1 Absorbable Multi-Putty Bone Cements and Hemostatic Compositions and Methods of Use ABYRX, INC. (US) 2014-07-31 US disclosed