SCHEMBL8633439

SCHEMBL8633439

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

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
IDO1 P14902 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CA12 O43570 5/20 0.43
CA1 P00915 5/20 0.43
CA2 P00918 5/20 0.43
CA9 Q16790 5/20 0.43
PTPRB P23467 1/20 0.43
DRD2 P14416 2/20 0.41
SYK P43405 1/20 0.40
BRD4 O60885 1/20 0.40
TPSAB1 Q15661 1/20 0.40
TPSD1 Q9BZJ3 1/20 0.40
TPSG1 Q9NRR2 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 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
SCHEMBL8883484 0.97 PTPRB (0.45) NPSR1KDM4EMAPTIDO1TDP1
SCHEMBL8633540 0.96 IDO1 (0.46) NPSR1KDM4EMAPTIDO1TDP1
SCHEMBL8632625 0.87 IDO1 (0.46) NPSR1KDM4EMAPTIDO1TDP1
SCHEMBL8633442 0.82 TDP1 (0.42) NPSR1KDM4EMAPTTDP1CA12
SCHEMBL20590258 0.81 TDP1 (0.58) NPSR1KDM4EMAPTIDO1TDP1
SCHEMBL8630758 0.80 IDO1 (0.44) NPSR1IDO1TDP1PTPRBDRD2
SCHEMBL8636980 0.80 LMNA (0.43) NPSR1MAPTTDP1CYP3A4MAOA
Ethyl Benzoate SCHEMBL28125723 0.80 KDM4E (0.52) NPSR1KDM4EMAPTIDO1TDP1
Ethyl Benzoate SCHEMBL28244856 0.80 KDM4E (0.52) NPSR1KDM4EMAPTIDO1TDP1
SCHEMBL8329540 0.79 IDO1 (0.50) NPSR1MAPTIDO1PTPRBSYK

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 4 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
EP-0667850-B1 TARTRONIC ACIDS, THEIR ACETALIC ETHERS AND O-ESTERS DOMPE FARMACEUTICI SPA (IT) 1997-05-28 EP disclosed
WO-1994010127-A1 TARTRONIC ACIDS, THEIR ACETALIC ETHERS AND O-ESTERS DOMPE' FARMACEUTICI S.P.A. (IT) 1994-05-11 WO disclosed