SCHEMBL8631399

SCHEMBL8631399

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.45
TDP1 Q9NUW8 2/20 0.44
POLB P06746 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
PIN1 Q13526 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 3/20 0.41
CYP1A2 P05177 2/20 0.41
GAA P10253 2/20 0.41
RAB9A P51151 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C19 P33261 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPK1 P28482 1/20 0.40
HIF1A Q16665 1/20 0.40
CYP3A4 P08684 1/20 0.39
MAOA P21397 1/20 0.39
ALDH1A1 P00352 3/20 0.38
MAPT P10636 2/20 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
SCHEMBL8636980 0.95 LMNA (0.43) LMNATDP1POLBNPSR1PIN1
SCHEMBL8634964 0.80 NAMPT (0.46) LMNAPOLBNPSR1PIN1SMN1; SMN2
SCHEMBL8633540 0.79 IDO1 (0.46) LMNATDP1NPSR1GAACYP2D6
SCHEMBL8629689 0.79 TSHR (0.50) LMNATDP1POLBSMN1; SMN2NPC1
SCHEMBL8633545 0.78 SLC7A5 (0.43) LMNATDP1POLBNPSR1PIN1
SCHEMBL8633439 0.78 NPSR1 (0.46) TDP1NPSR1CYP3A4MAOAMAPT
SCHEMBL8629786 0.76 KDM4E (0.45) LMNASMN1; SMN2NPC1CYP1A2GAA
SCHEMBL28509863 0.76 LMNA (0.56) LMNATDP1SMN1; SMN2CYP1A2RAB9A
SCHEMBL8883484 0.75 PTPRB (0.45) TDP1NPSR1MAPT
SCHEMBL8633560 0.74 KMT2A (0.47) LMNATDP1POLBSMN1; SMN2GAA

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