SCHEMBL4729260

SCHEMBL4729260

N[C@@H](Cc1cccc(O)c1O)C(=O)OCCCOC(=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.50
TYR P14679 1/20 0.43
SLC7A5 Q01650 1/20 0.42
LMNA P02545 1/20 0.41
SERPINE1 P05121 1/20 0.41
CYBB P04839 1/20 0.40
PPARG P37231 1/20 0.39
SLC1A5 Q15758 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL4350641 0.82 IAPP (0.48) TDP1LMNASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL1893385 0.78 SLC7A5 (0.55) TDP1SLC7A5LMNASERPINE1L3MBTL1
Hydrochloric Acid SCHEMBL11029830 0.74 USP2 (0.46) TDP1TYRLMNACYBBPPARG
SCHEMBL157790 0.74 KDM4E (0.56) TDP1SLC7A5LMNAL3MBTL1ALDH1A1
SCHEMBL1700767 0.74 KDM4E (0.56) TDP1SLC7A5LMNAL3MBTL1ALDH1A1
SCHEMBL29540097 0.74 KDM4E (0.56) TDP1SLC7A5LMNAL3MBTL1ALDH1A1
SCHEMBL416566 0.73 TDP1 (0.91) TDP1LMNASERPINE1SMN1; SMN2ALDH1A1
SCHEMBL8679047 0.73 TDP1 (0.66) TDP1TYRLMNAL3MBTL1
SCHEMBL14095409 0.71 ALPI (0.61) SLC7A5LMNA
SCHEMBL30883294 0.71 IAPP (0.46) TDP1LMNAL3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008034087-A2 TREATING SCHIZOPHRENIA WITH COMBINATIONS OF LEVODOPA AND AN ANTIPSYCHOTIC AGENT XENOPORT, INC. (US) 2008-03-20 WO disclosed