SCHEMBL7868178

SCHEMBL7868178

CCOC(=O)N(C)N(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
LMNA P02545 3/20 0.43
HSD17B10 Q99714 2/20 0.43
ALOX15 P16050 1/20 0.42
MGAM O43451 1/20 0.42
GAA P10253 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
SOAT1 P35610 1/20 0.42
PHF8 Q9UPP1 1/20 0.41
KDM2A Q9Y2K7 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
TRPA1 O75762 1/20 0.39
CYP2C9 P11712 1/20 0.35
CHRM2 P08172 1/20 0.34

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
SCHEMBL6009969 0.89 ALDH1A1 (0.50) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL11293189 0.78 ALDH1A1 (0.40) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL20870669 0.78 ALDH1A1 (0.50) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL1201195 0.78
SCHEMBL5232301 0.76
Trimethylammonium SCHEMBL28354405 0.76 CHRNB2 (0.52) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL11702664 0.76
Hydrochloric Acid SCHEMBL28119534 0.76
SCHEMBL102165 0.75
SCHEMBL11688122 0.75 KMT2A (0.44) ALDH1A1LMNAHSD17B10ALOX15MGAM

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
CN-103977003-A Methods and compositions for reduction of side effects of therapeutic treatments PARKINSON S INST 2014-08-13 CN disclosed
CN-101772346-B Methods and compositions for reducing side effects of treatment PARKINSON S INST 2014-05-07 CN disclosed
CN-101772346-A Methods and compositions for reducing side effects of treatment PARKINSON S INST 2010-07-07 CN disclosed
EP-1126846-A1 USE OF A NICOTINE RECEPTOR AGONIST IN THE TREATMENT OF OBSESSIVE COMPULSIVE DISORDER A Carlsson Research AB (SE) 2001-08-29 EP disclosed
WO-2000025783-A1 USE OF A NICOTINE RECEPTOR AGONIST IN THE TREATMENT OF OBSESSIVE COMPULSIVE DISORDER A CARLSSON RESEARCH AB (SE) 2000-05-11 WO disclosed