SCHEMBL8633006

SCHEMBL8633006

CCOC(=O)C(CCc1cccnc1)C(=O)OCC

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
TBXAS1 P24557 7/20 0.47
MAPK1 P28482 2/20 0.46
TSHR P16473 1/20 0.46
KMT2A Q03164 2/20 0.46
PKM P14618 1/20 0.46
NAPRT Q6XQN6 1/20 0.45

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
SCHEMBL10713540 0.92 TDP1 (0.53) TDP1L3MBTL1TBXAS1MAPK1KMT2A
SCHEMBL9733099 0.89 TBXAS1 (0.55) TDP1L3MBTL1TBXAS1MAPK1KMT2A
SCHEMBL7345369 0.85 MMP8 (0.52) TBXAS1MAPK1KMT2APKMNAPRT
SCHEMBL10618105 0.83 LMNA (0.43) TDP1L3MBTL1TBXAS1KMT2APKM
SCHEMBL10713534 0.82 CHRNA7 (0.54) TDP1L3MBTL1TBXAS1
SCHEMBL3949678 0.82 MMP8 (0.54) TDP1TBXAS1KMT2APKMNAPRT
SCHEMBL11427624 0.82 TDP1 (0.51) TDP1L3MBTL1TBXAS1TSHR
SCHEMBL10399164 0.82 TDP1 (0.51) TDP1L3MBTL1TBXAS1
SCHEMBL10399165 0.82 TDP1 (0.51) TDP1L3MBTL1TBXAS1
SCHEMBL6646153 0.81 NAMPT (0.47) TDP1L3MBTL1MAPK1TSHRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5773465-A Tartronic acids, their acetalic ethers and o-esters DOMPE FARMACEUTICI S.P.A. (IT) 1998-06-30 US disclosed
US-5656656-A Tartronic acids, their acetalic ethers and O-esters DOMPE FARMACEUTICI S.P.A. (IT) 1997-08-12 US disclosed
EP-0667850-B1 TARTRONIC ACIDS, THEIR ACETALIC ETHERS AND O-ESTERS DOMPE FARMACEUTICI SPA (IT) 1997-05-28 EP disclosed
EP-0667850-A1 TARTRONIC ACIDS, THEIR ACETALIC ETHERS AND O-ESTERS. DOMPE FARMACEUTICI SPA (IT) 1995-08-23 EP disclosed
WO-1994010127-A1 TARTRONIC ACIDS, THEIR ACETALIC ETHERS AND O-ESTERS DOMPE' FARMACEUTICI S.P.A. (IT) 1994-05-11 WO disclosed