SCHEMBL4852532

SCHEMBL4852532

C=CCOC(=O)CC(Cl)C(C)=O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.44
TSHR P16473 3/20 0.43
CYP3A4 P08684 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
PKM P14618 1/20 0.33
MAPT P10636 1/20 0.33
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 1/20 0.33
ALDH1A1 P00352 3/20 0.32
GAA P10253 1/20 0.32
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
HSD17B10 Q99714 2/20 0.30
KDM4E B2RXH2 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL7574669 0.81 TDP1 (0.50) TDP1TSHRCYP3A4NPSR1SMN1; SMN2
SCHEMBL4858974 0.80 TDP1 (0.39) TDP1TSHRCYP3A4NPSR1SMN1; SMN2
SCHEMBL12236061 0.79 TDP1 (0.49) TDP1TSHRCYP3A4NPSR1SMN1; SMN2
SCHEMBL1415300 0.78 TDP1 (0.44) TDP1TSHRCYP3A4NPSR1SMN1; SMN2
SCHEMBL873242 0.76 TDP1 (0.58) TDP1TSHRCYP3A4NPSR1SMN1; SMN2
SCHEMBL4808766 0.76 GAA (0.46) TDP1TSHRCYP3A4MAPTALDH1A1
SCHEMBL4888783 0.76 TDP1 (0.38) TDP1TSHRCYP3A4MAPTCACNA1B
SCHEMBL7577258 0.76 TDP1 (0.41) TDP1TSHRCYP3A4NPSR1SMN1; SMN2
SCHEMBL7575730 0.76 TDP1 (0.41) TDP1TSHRCYP3A4NPSR1SMN1; SMN2
SCHEMBL2036556 0.75 TDP1 (0.40) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7339073-B2 Method for obtaining 5-halogenolaevulinic acid alkyl esters ALDENKORTT SVEN 2008-03-04 US disclosed
US-20050070727-A1 Method for obtaining 5-halogenolaevulinic acid alkyl esters ALDENKORTT DR SVEN (DE) 2005-03-31 US disclosed