SCHEMBL8632463

SCHEMBL8632463

CCOC(=O)C(O)(C(=O)OCC)C(N)CCCCCC(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.35
GAA P10253 1/20 0.35
CPB2 Q96IY4 2/20 0.35
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
KMT2A Q03164 2/20 0.33
EPHX2 P34913 1/20 0.33
HDAC8 Q9BY41 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
ALDH1A1 P00352 2/20 0.32
DGKA P23743 1/20 0.32
CYP3A4 P08684 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MAPT P10636 1/20 0.31
USP2 O75604 1/20 0.31

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
SCHEMBL8633153 0.89 CYP1A2 (0.33) CYP1A2CYP4F2CYP4A11KMT2AHDAC8
SCHEMBL8633676 0.86 EPHX2 (0.37) GAAKMT2AEPHX2HDAC8HDAC1
SCHEMBL517314 0.76 GABRP (0.41) GAAKMT2AEPHX2HDAC8HDAC1
SCHEMBL2331646 0.76 EPHX2 (0.40) GAAKMT2AEPHX2HDAC8HDAC1
SCHEMBL2336876 0.76 EPHX2 (0.40) GAAKMT2AEPHX2HDAC8HDAC1
SCHEMBL2332922 0.76 EPHX2 (0.40) GAAKMT2AEPHX2HDAC8HDAC1
SCHEMBL8636280 0.76 SLC7A5 (0.37) CYP1A2KMT2ALMNA
SCHEMBL15055158 0.76 CYP1A2 (0.53) CYP1A2GAACYP4F2CYP4A11KMT2A
SCHEMBL27643241 0.76 CYP1A2 (0.53) CYP1A2GAACYP4F2CYP4A11KMT2A
SCHEMBL26648449 0.76 CYP1A2 (0.53) CYP1A2GAACYP4F2CYP4A11KMT2A

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