SCHEMBL10706358

SCHEMBL10706358

CCOC(C)OCC.COC(=O)C=O

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.50
HCAR2 Q8TDS4 2/20 0.37
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.31
MGAM O43451 1/20 0.30
GAA P10253 1/20 0.30
SI P14410 1/20 0.30
MGAM2 Q2M2H8 1/20 0.30

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
SCHEMBL2787103 0.83 LMNA (0.50) LMNAHCAR2SMN1; SMN2MGAMGAA
Methylglyoxal SCHEMBL9148515 0.80 LMNA (0.57) LMNA
Glyoxylate SCHEMBL5793604 0.80 LMNA (0.57) LMNAHCAR2
Formic Acid SCHEMBL6366884 0.77 LMNA (0.67) LMNA
Glyoxylate SCHEMBL10883513 0.77 LMNA (0.52) LMNA
SCHEMBL132857 0.76
SCHEMBL28209142 0.76 MGAM (0.37) LMNAHCAR2KEAP1NFE2L2SMN1; SMN2
SCHEMBL10607380 0.76 LMNA (0.41) LMNASMN1; SMN2
SCHEMBL10626200 0.76 ATM (0.53) LMNAHCAR2SMN1; SMN2
Bicarbonate SCHEMBL5374586 0.74 LMNA (0.71) LMNAMGAMGAASIMGAM2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0103945-B1 SUBSTITUTED BENZENEDIOLS AND BENZODIOXINS THE UPJOHN COMPANY (US) 1988-04-20 EP claimed
US-4501892-A Pyridyl benzenediols THE UPJOHN COMPANY (US) 1985-02-26 US claimed
EP-0103945-A2 Substituted benzenediols and benzodioxins THE UPJOHN COMPANY (US) 1984-03-28 EP claimed
EP-0103945-B1 SUBSTITUTED BENZENEDIOLS AND BENZODIOXINS THE UPJOHN COMPANY (US) 1988-04-20 EP disclosed
US-4501892-A Pyridyl benzenediols THE UPJOHN COMPANY (US) 1985-02-26 US disclosed
EP-0103945-A2 Substituted benzenediols and benzodioxins THE UPJOHN COMPANY (US) 1984-03-28 EP disclosed