SCHEMBL6530496

SCHEMBL6530496

C=CCOC(=O)C[C@@H](C)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.51
TSHR P16473 5/20 0.47
CYP3A4 P08684 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
PKM P14618 1/20 0.36
MAPT P10636 3/20 0.35
CYP2C9 P11712 1/20 0.35
CACNA1B Q00975 1/20 0.35
APBA1 Q02410 1/20 0.35
ALDH1A1 P00352 4/20 0.35
HSD17B10 Q99714 3/20 0.35
KDM4E B2RXH2 2/20 0.35
HPGD P15428 2/20 0.35
GAA P10253 1/20 0.34
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31

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
SCHEMBL374991 1.00 TDP1 (0.51) TDP1TSHRCYP3A4NPSR1SMN1; SMN2
SCHEMBL873242 0.85 TDP1 (0.58) TDP1TSHRCYP3A4NPSR1SMN1; SMN2
Ethane SCHEMBL17791907 0.83 TDP1 (0.61) TDP1TSHRCYP3A4NPSR1SMN1; SMN2
SCHEMBL8650694 0.83 TDP1 (0.46) TDP1TSHRCYP3A4NPSR1SMN1; SMN2
SCHEMBL6154152 0.83 TDP1 (0.46) TDP1TSHRCYP3A4NPSR1SMN1; SMN2
SCHEMBL7574669 0.82 TDP1 (0.50) TDP1TSHRCYP3A4NPSR1SMN1; SMN2
SCHEMBL7583499 0.82 TDP1 (0.50) TDP1TSHRCYP3A4NPSR1SMN1; SMN2
SCHEMBL10915080 0.82 TDP1 (0.50) TDP1TSHRCYP3A4NPSR1SMN1; SMN2
SCHEMBL3264927 0.82 TDP1 (0.50) TDP1TSHRCYP3A4NPSR1SMN1; SMN2
SCHEMBL7194323 0.82 TDP1 (0.50) TDP1TSHRCYP3A4NPSR1SMN1; SMN2

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-20050069995-A1 (R)-hydroxycarboxylic acid producing recombinant microorganism and process for preparing (r)-hydroxycarboxylic acid using the same KOREA ADVANCED INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2005-03-31 US disclosed
US-20030143703-A1 Recombinant microorganism expressing polyhydroxyalkanoate biosynthesis enzyme and intracellular PHA depolymerase KOREA ADVANCED INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2003-07-31 US disclosed
WO-2003046159-A1 (R)-HYDROXYCARBOXYLIC ACID PRODUCING RECOMBINANT MICROORGANISM AND PROCESS FOR PREPARING (R)-HYDROXYCARBOXYLIC ACID USING THE SAME KOREA ADVANCED INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2003-06-05 WO disclosed