SCHEMBL8636288

SCHEMBL8636288

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
HTT P42858 2/20 0.51
FFAR1 O14842 1/20 0.51
F2RL1 P55085 1/20 0.50
NPC1 O15118 1/20 0.50
POLB P06746 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
KMT2A Q03164 2/20 0.49
MMP9 P14780 2/20 0.49
MMP1 P03956 1/20 0.49
IDO1 P14902 2/20 0.48
AGXT P21549 2/20 0.48
MMP2 P08253 1/20 0.48
MMP12 P39900 1/20 0.48
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
LDHA P00338 1/20 0.47
ATM Q13315 1/20 0.47

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
SCHEMBL3736517 0.88 ALDH1A1 (0.53) ALDH1A1HTTFFAR1F2RL1NPC1
SCHEMBL3732071 0.86 RAB9A (0.55) ALDH1A1HTTFFAR1NPC1POLB
SCHEMBL10551219 0.84 ALDH1A1 (0.53) ALDH1A1HTTFFAR1NPC1POLB
SCHEMBL3731737 0.81 ALDH1A1 (0.50) ALDH1A1HTTFFAR1NPC1POLB
SCHEMBL19872027 0.81 ALDH1A1 (0.50) ALDH1A1HTTFFAR1NPC1POLB
SCHEMBL3758807 0.81 ALDH1A1 (0.60) ALDH1A1HTTFFAR1F2RL1NPC1
SCHEMBL292834 0.81 ALDH1A1 (0.60) ALDH1A1HTTFFAR1F2RL1NPC1
SCHEMBL7175493 0.80 ALDH1A1 (0.52) ALDH1A1HTTFFAR1NPC1POLB
SCHEMBL292835 0.79 NPC1 (0.59) ALDH1A1HTTFFAR1F2RL1NPC1
SCHEMBL1871228 0.79 ALDH1A1 (0.62) ALDH1A1HTTFFAR1F2RL1NPC1

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 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
WO-1994010127-A1 TARTRONIC ACIDS, THEIR ACETALIC ETHERS AND O-ESTERS DOMPE' FARMACEUTICI S.P.A. (IT) 1994-05-11 WO disclosed