SCHEMBL8633650

SCHEMBL8633650

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
TDP1 Q9NUW8 5/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
LTA4H P09960 1/20 0.36
NOS1 P29475 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP1A2 P05177 1/20 0.35
HTT P42858 1/20 0.35
NOS3 P29474 1/20 0.35
NOS2 P35228 1/20 0.35
CPB2 Q96IY4 1/20 0.35
CYP2D6 P10635 1/20 0.34
ALOX15 P16050 1/20 0.33
TSHR P16473 2/20 0.33
MAPK1 P28482 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
ALDH1A1 P00352 1/20 0.33
METAP2 P50579 1/20 0.32

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
SCHEMBL3294154 0.85 NOS1 (0.42) MEN1KMT2ALTA4HNOS1CYP2C9
SCHEMBL2886165 0.80 CYP2C9 (0.40) POLBNOS1CYP2C9CYP2C19CYP1A2
SCHEMBL17449764 0.80 NOS1 (0.40) TDP1MEN1KMT2ALTA4HNOS1
SCHEMBL5763676 0.80 NOS1 (0.40) TDP1MEN1KMT2ALTA4HNOS1
SCHEMBL67350 0.80 NOS1 (0.40) TDP1MEN1KMT2ALTA4HNOS1
SCHEMBL25412373 0.80 NOS1 (0.43) MEN1KMT2ALTA4HNOS1CYP2C9
SCHEMBL67349 0.80 NOS1 (0.40) TDP1MEN1KMT2ALTA4HNOS1
SCHEMBL20671217 0.79 CYP1A2 (0.43) POLBKMT2ALTA4HNOS1CYP2C9
SCHEMBL2254267 0.79 CYP1A2 (0.43) POLBKMT2ALTA4HNOS1CYP2C9
SCHEMBL31229277 0.79 CYP1A2 (0.43) POLBKMT2ALTA4HNOS1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0254080-B1 MALONIC ACID DERIVATIVES AND METHODS FOR THEIR SYNTHESIS ENIRICERCHE S.p.A. (IT) 1993-03-17 EP claimed
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