SCHEMBL8633540

SCHEMBL8633540

CCOC(=O)C(CCCNC(=O)OC(C)(C)C)(OC(=O)c1ccccc1)C(=O)OCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.46
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PTPRB P23467 1/20 0.42
SYK P43405 1/20 0.42
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
CA12 O43570 6/20 0.41
CA1 P00915 6/20 0.41
CA2 P00918 6/20 0.41
CA9 Q16790 6/20 0.41
TDP1 Q9NUW8 2/20 0.40
HTR1A P08908 1/20 0.40
CYP2D6 P10635 1/20 0.40
SCN1A P35498 1/20 0.40
SLC6A3 Q01959 1/20 0.40
SCN5A Q14524 1/20 0.40
SCN2A Q99250 1/20 0.40

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
SCHEMBL8633439 0.96 NPSR1 (0.46) IDO1KDM4EMAPTNPSR1PTPRB
SCHEMBL8883484 0.93 PTPRB (0.45) IDO1KDM4EMAPTNPSR1PTPRB
SCHEMBL8632625 0.89 IDO1 (0.46) IDO1KDM4EMAPTNPSR1PTPRB
SCHEMBL8329540 0.83 IDO1 (0.50) IDO1MAPTNPSR1PTPRBSYK
SCHEMBL8803281 0.82 HDAC3 (0.51) IDO1KDM4EMAPTNPSR1PTPRB
SCHEMBL8630758 0.82 IDO1 (0.44) IDO1NPSR1PTPRBSYKMEN1
SCHEMBL8799056 0.81 SIGMAR1 (0.51) IDO1KDM4ENPSR1PTPRBSYK
SCHEMBL8633833 0.81 SYK (0.40) IDO1MAPTNPSR1SYKMEN1
SCHEMBL8631399 0.79 LMNA (0.45) MAPTNPSR1MEN1GAAKMT2A
SCHEMBL20590258 0.78 TDP1 (0.58) IDO1KDM4EMAPTNPSR1MEN1

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
US-5773465-A Tartronic acids, their acetalic ethers and o-esters DOMPE FARMACEUTICI S.P.A. (IT) 1998-06-30 US 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