SCHEMBL8636980

SCHEMBL8636980

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
TDP1 Q9NUW8 2/20 0.42
POLB P06746 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PIN1 Q13526 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 3/20 0.39
CYP1A2 P05177 2/20 0.39
GAA P10253 2/20 0.39
RAB9A P51151 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C19 P33261 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPK1 P28482 1/20 0.38
HIF1A Q16665 1/20 0.38
CYP3A4 P08684 1/20 0.37
MAOA P21397 1/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37

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
SCHEMBL8631399 0.95 LMNA (0.45) LMNATDP1POLBNPSR1PIN1
SCHEMBL8633439 0.80 NPSR1 (0.46) TDP1NPSR1CYP3A4MAOAMAPT
SCHEMBL8883484 0.78 PTPRB (0.45) TDP1NPSR1MAPT
SCHEMBL8633540 0.77 IDO1 (0.46) LMNATDP1NPSR1GAACYP2D6
SCHEMBL8629689 0.76 TSHR (0.50) LMNATDP1POLBSMN1; SMN2NPC1
SCHEMBL8633545 0.76 SLC7A5 (0.43) LMNATDP1POLBNPSR1PIN1
SCHEMBL8634964 0.75 NAMPT (0.46) LMNAPOLBNPSR1PIN1SMN1; SMN2
SCHEMBL8629786 0.74 KDM4E (0.45) LMNASMN1; SMN2NPC1CYP1A2GAA
SCHEMBL28509863 0.74 LMNA (0.56) LMNATDP1SMN1; SMN2CYP1A2RAB9A
SCHEMBL2778301 0.73 TDP1 (0.79) LMNATDP1SMN1; SMN2NPC1RAB9A

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