SCHEMBL7699400

SCHEMBL7699400

CCOC(=O)C(C)O.COc1ccc(COC(=O)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.46
ATM Q13315 1/20 0.46
LMNA P02545 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 2/20 0.46
KMT2A Q03164 2/20 0.46
GLA P06280 1/20 0.46
NPC1 O15118 1/20 0.46
POLB P06746 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
FFAR1 O14842 2/20 0.44
FABP7 O15540 1/20 0.43
FABP5 Q01469 1/20 0.43
HTT P42858 2/20 0.43
EPHX2 P34913 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 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
SCHEMBL3736036 0.86 ALDH1A1 (0.54) LDHAATMALDH1A1NPC1POLB
SCHEMBL23750675 0.86 ALDH1A1 (0.54) LDHAATMALDH1A1NPC1POLB
SCHEMBL7699417 0.85 L3MBTL1 (0.54) ATMLMNAL3MBTL1ALDH1A1KMT2A
SCHEMBL292835 0.84 NPC1 (0.59) LDHAATMALDH1A1NPC1POLB
Hydrochloric Acid SCHEMBL11851173 0.83 NPC1 (0.57) LDHAATMALDH1A1NPC1POLB
Anisole SCHEMBL7093934 0.82 TDP1 (0.50) LMNAL3MBTL1ALDH1A1KMT2ANPC1
Hydrazine SCHEMBL8834679 0.81 NPC1 (0.56) LDHAATMALDH1A1NPC1POLB
SCHEMBL22028110 0.80 LTA4H (0.58) LDHAATMALDH1A1NPC1POLB
SCHEMBL7069557 0.78 LMNA (0.52) LDHAATMLMNAL3MBTL1ALDH1A1
SCHEMBL27787137 0.78 LDHA (0.50) LDHAATMLMNAL3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6469193-B1 THREE COMPONENT COUPLINGS OF ALIPHATIC ALCOHOLS, ALKYL HALIDES AND CARBON DIOXIDE IN THE PRESENCE OF CESIUM CARBONATE AND TETRABUTYLAMMONIUM IODIDE UNIVERSITY OF SOUTH FLORIDA 2002-10-22 US disclosed
WO-2000050376-A9 EFFICIENT SYNTHESIS OF ALKYL CARBONATES UNIV SOUTH FLORIDA (US) 2001-10-11 WO disclosed
WO-2000050376-A2 EFFICIENT SYNTHESIS OF ALKYL CARBONATES UNIVERSITY OF SOUTH FLORIDA (US) 2000-08-31 WO disclosed