SCHEMBL8143235

SCHEMBL8143235

O=C(COCCN1C(=O)c2ccccc2C1=O)CC(=O)OCCCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.47
POLB P06746 1/20 0.46
APEX1 P27695 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 2/20 0.46
CASP3 P42574 1/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44
TSHR P16473 2/20 0.44
MAPK1 P28482 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL10766786 0.86 RAB9A (0.56) TDP1L3MBTL1SMN1; SMN2POLBAPEX1
SCHEMBL4985915 0.82 HSD17B10 (0.50) TDP1L3MBTL1SMN1; SMN2POLBAPEX1
SCHEMBL10768404 0.81 POLB (0.46) TDP1L3MBTL1SMN1; SMN2POLBAPEX1
SCHEMBL7383210 0.81 ALDH1A1 (0.64) L3MBTL1SMN1; SMN2POLBALDH1A1RAB9A
SCHEMBL4983346 0.80 HSD17B10 (0.53) TDP1SMN1; SMN2POLBAPEX1HSD17B10
SCHEMBL3183400 0.80 SMN1; SMN2 (0.55) TDP1SMN1; SMN2POLBAPEX1HSD17B10
SCHEMBL9760318 0.80 HSD17B10 (0.48) TDP1L3MBTL1SMN1; SMN2POLBAPEX1
SCHEMBL7906481 0.80 SMN1; SMN2 (0.62) SMN1; SMN2POLBALDH1A1RAB9AMEN1
SCHEMBL7373567 0.80 SMN1; SMN2 (0.62) SMN1; SMN2POLBALDH1A1RAB9AMEN1
SCHEMBL10766778 0.79 SMN1; SMN2 (0.46) TDP1L3MBTL1SMN1; SMN2POLBAPEX1

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
US-6057332-A Substituted 1,4-dihydropyrimidine-5-carboxylate compounds, their preparation and uses ASTRA AKTIEBOLAG (SE) 2000-05-02 US disclosed