SCHEMBL8633596

SCHEMBL8633596

CCOC(=O)C(Cc1ccccc1)(OC1CCCCO1)C(=O)OCC

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
RECQL P46063 2/20 0.44
MMP8 P22894 1/20 0.44
KDM4E B2RXH2 1/20 0.40
PIN1 Q13526 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SLC6A3 Q01959 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 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
SCHEMBL8633571 0.84 MEN1 (0.41) ALDH1A1MEN1KMT2ASLC6A3
SCHEMBL11109111 0.82 MEN1 (0.44) ALDH1A1RECQLMMP8KDM4EPIN1
Lithium Ion SCHEMBL8633570 0.81 MEN1 (0.39) ALDH1A1MEN1KMT2ASLC6A3
SCHEMBL8634342 0.81 CYSLTR2 (0.43) ALDH1A1MEN1KMT2A
SCHEMBL8634364 0.77 PTPN1 (0.35) ALDH1A1KDM4EL3MBTL1
SCHEMBL7431853 0.76 ALDH1A1 (0.57) ALDH1A1RECQLMMP8PIN1MEN1
SCHEMBL9115989 0.75 MEN1 (0.40) ALDH1A1RECQLMMP8KDM4EPIN1
SCHEMBL8762918 0.74 MEN1 (0.46) ALDH1A1PIN1MEN1KMT2ASLC6A3
SCHEMBL3609772 0.74 CYP4F2 (0.41) ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL9208553 0.73 ALDH1A1 (0.37) ALDH1A1PIN1MEN1KMT2ASLC6A3

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