SCHEMBL5565286

SCHEMBL5565286

CCN(CC)CC.COC(=O)c1ccccc1OC(=O)c1ccccc1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.61
TSHR P16473 1/20 0.61
HSD17B10 Q99714 4/20 0.57
HPGD P15428 3/20 0.57
ALDH1A1 P00352 2/20 0.57
KDM4E B2RXH2 2/20 0.57
SLC6A3 Q01959 1/20 0.56
KMT2A Q03164 6/20 0.50
HTT P42858 2/20 0.50
ESR1 P03372 2/20 0.50
ESR2 Q92731 2/20 0.50
MAPT P10636 1/20 0.49
ATM Q13315 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
ALOX15 P16050 1/20 0.46
PRSS1 P07477 1/20 0.46
ACR P10323 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
MEN1 O00255 1/20 0.44

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
SCHEMBL2442995 0.90 LMNA (0.76) LMNATSHRHSD17B10HPGDALDH1A1
Methyl Salicylate SCHEMBL5565291 0.84 LMNA (0.67) LMNATSHRHSD17B10HPGDALDH1A1
Methyl Salicylate SCHEMBL26622127 0.82 LMNA (0.73) LMNATSHRHSD17B10HPGDALDH1A1
Methyl Salicylate SCHEMBL4113789 0.82 LMNA (0.85) LMNATSHRHSD17B10HPGDALDH1A1
Hydrochloric Acid SCHEMBL31465587 0.82 SCN1A (0.60) LMNATSHRHSD17B10HPGDALDH1A1
SCHEMBL5706028 0.80 SLC6A3 (0.77) LMNATSHRHSD17B10HPGDALDH1A1
Methyl Salicylate SCHEMBL27586961 0.80 LMNA (0.88) LMNATSHRHSD17B10HPGDALDH1A1
SCHEMBL14394198 0.80 ALDH1A1 (0.64) LMNATSHRHSD17B10HPGDALDH1A1
Methyl Salicylate SCHEMBL29370254 0.78 LMNA (1.00) LMNATSHRHSD17B10HPGDALDH1A1
Methyl Salicylate SCHEMBL1872042 0.78 LMNA (1.00) LMNATSHRHSD17B10HPGDALDH1A1

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
WO-2007100910-A2 TRANSDERMAL PATCHES CONTAINING A NITRIC OXIDE-DONOR AND A SECOND ACTIVE AGENT AND ASSOCIATED METHODS CURE THERAPEUTICS, INC. (US) 2007-09-07 WO claimed
US-20070059351-A1 Transdermal patches containing a nitric oxide-donor and a second active agent and associated methods CURE THERAPEUTICS, INC. 2007-03-15 US claimed
WO-2007100910-A2 TRANSDERMAL PATCHES CONTAINING A NITRIC OXIDE-DONOR AND A SECOND ACTIVE AGENT AND ASSOCIATED METHODS CURE THERAPEUTICS, INC. (US) 2007-09-07 WO disclosed
US-20070059351-A1 Transdermal patches containing a nitric oxide-donor and a second active agent and associated methods CURE THERAPEUTICS, INC. 2007-03-15 US disclosed