SCHEMBL6530600

SCHEMBL6530600

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.49
TDP1 Q9NUW8 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.35
CYP3A4 P08684 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PKM P14618 1/20 0.34
MAPT P10636 2/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 1/20 0.33
ALDH1A1 P00352 6/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 3/20 0.31
USP2 O75604 1/20 0.31
HSD17B10 Q99714 3/20 0.31
KDM4E B2RXH2 2/20 0.31
ADRB2 P07550 1/20 0.31
ADRB1 P08588 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
SCHEMBL9749118 1.00 TSHR (0.49) TSHRTDP1SMN1; SMN2CYP3A4NPSR1
SCHEMBL6154152 0.88 TDP1 (0.46) TSHRTDP1SMN1; SMN2CYP3A4NPSR1
SCHEMBL15234471 0.85 TSHR (0.50) TSHRTDP1SMN1; SMN2CYP3A4NPSR1
SCHEMBL1907257 0.82 TDP1 (0.42) TSHRTDP1SMN1; SMN2CYP3A4NPSR1
SCHEMBL6456521 0.82 TDP1 (0.41) TSHRTDP1SMN1; SMN2NPSR1MAPT
SCHEMBL3405962 0.81 TSHR (0.58) TSHRTDP1SMN1; SMN2CYP3A4MAPT
SCHEMBL670416 0.81 TDP1 (0.41) TSHRTDP1SMN1; SMN2CYP3A4NPSR1
SCHEMBL3836310 0.81 TDP1 (0.41) TSHRTDP1SMN1; SMN2CYP3A4NPSR1
SCHEMBL2201733 0.81 TDP1 (0.41) TSHRTDP1SMN1; SMN2CYP3A4NPSR1
SCHEMBL2201739 0.81 TDP1 (0.41) TSHRTDP1SMN1; SMN2CYP3A4NPSR1

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 6 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
EP-1285070-A4 RECOMBINANT MICROORGANISM EXPRESSING POLYHYDROXYALKANOATE BIOSYNTHESIS ENZYME AND INTRACELLULAR PHA DEPOLYMERASE KOREA ADVANCED INST SCI & TECH (KR) 2004-07-28 EP 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
EP-1285070-A1 RECOMBINANT MICROORGANISM EXPRESSING POLYHYDROXYALKANOATE BIOSYNTHESIS ENZYME AND INTRACELLULAR PHA DEPOLYMERASE Korea Advanced Institute of Science and Technology (KR) 2003-02-26 EP disclosed
WO-2001088145-A1 RECOMBINANT MICROORGANISM EXPRESSING POLYHYDROXYALKANOATE BIOSYNTHESIS ENZYME AND INTRACELLULAR PHA DEPOLYMERASE KOREA ADVANCED INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2001-11-22 WO disclosed