SCHEMBL6440032

SCHEMBL6440032

CCCCOCCOC(=O)C(C)O

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.45
CYP3A4 P08684 1/20 0.44
ALDH1A1 P00352 2/20 0.43
MAPT P10636 3/20 0.43
HSD17B10 Q99714 1/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ATM Q13315 1/20 0.41
THRB P10828 1/20 0.41
HTT P42858 1/20 0.41
DGKA P23743 1/20 0.39
CES2 O00748 1/20 0.38
HPGD P15428 1/20 0.38
ACHE P22303 1/20 0.38
RARB P10826 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL13541385 1.00 TSHR (0.45) TSHRCYP3A4ALDH1A1MAPTHSD17B10
SCHEMBL28571108 1.00 TSHR (0.45) TSHRCYP3A4ALDH1A1MAPTHSD17B10
SCHEMBL15096711 0.92 HTT (0.52) TSHRMAPTMEN1KMT2ATHRB
SCHEMBL18047368 0.92 HTT (0.52) TSHRMAPTMEN1KMT2ATHRB
SCHEMBL15096709 0.92 HTT (0.52) TSHRMAPTMEN1KMT2ATHRB
SCHEMBL15096710 0.92 HTT (0.52) TSHRMAPTMEN1KMT2ATHRB
SCHEMBL787995 0.92 HTT (0.52) TSHRMAPTMEN1KMT2ATHRB
SCHEMBL2103330 0.87 ALDH1A1 (0.56) TSHRALDH1A1MAPTATMHPGD
SCHEMBL992236 0.87 ALDH1A1 (0.56) TSHRALDH1A1MAPTATMHPGD
SCHEMBL26742 0.87 ALDH1A1 (0.56) TSHRALDH1A1MAPTATMHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6967257-B1 Method of purifying lactic acid esters PURAC BIOCHEM B.V. (NL) 2005-11-22 US disclosed
EP-1237841-B1 METHOD OF PURIFYING LACTIC ACID ESTERS PURAC BIOCHEM BV (NL) 2004-01-21 EP disclosed
CN-1411433-A Method of purifying lactic acid esters PURAC BIOCHEM BV (NL) 2003-04-16 CN disclosed
EP-1237841-A1 METHOD OF PURIFYING LACTIC ACID ESTERS Purac Biochem B.V. (NL) 2002-09-11 EP disclosed
WO-2001044157-A1 METHOD OF PURIFYING LACTIC ACID ESTERS PURAC BIOCHEM B.V. (NL) 2001-06-21 WO disclosed