SCHEMBL8633052

SCHEMBL8633052

COc1ccc(COC(=O)C(OC2CCCCO2)C(=O)OCc2ccc(OC)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 2/20 0.45
EPHX2 P34913 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 4/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
GAA P10253 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL8632442 0.83 SMN1; SMN2 (0.40) CACNA1BHPGDSMN1; SMN2KMT2AALDH1A1
SCHEMBL1997267 0.82 CACNA1B (0.41) CACNA1BEPHX2MAPTHPGDSMN1; SMN2
SCHEMBL11255018 0.82 CACNA1B (0.42) CACNA1BEPHX2MAPTHPGDSMN1; SMN2
SCHEMBL8631635 0.81 ALDH1A1 (0.41) CACNA1BHPGDSMN1; SMN2KMT2AALDH1A1
SCHEMBL10963986 0.79 CACNA1B (0.40) CACNA1BEPHX2MAPTMEN1KMT2A
SCHEMBL11219328 0.79 ALDH1A1 (0.47) CACNA1BEPHX2SMN1; SMN2ALDH1A1GAA
SCHEMBL11092885 0.79 CACNA1B (0.40) CACNA1BEPHX2MAPTHPGDSMN1; SMN2
SCHEMBL8321396 0.78 NPC1 (0.50) EPHX2MAPTMEN1KMT2ANPC1
SCHEMBL8632433 0.75 ALDH1A1 (0.40) MAPTHPGDL3MBTL1MEN1KMT2A
SCHEMBL8632556 0.74 SLC6A3 (0.44) HPGDMEN1KMT2AALDH1A1NPSR1

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