SCHEMBL4041867

SCHEMBL4041867

CCCCCCOC(C)(C(=O)O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.47
LMNA P02545 2/20 0.47
ALDH1A1 P00352 2/20 0.47
CYP3A4 P08684 2/20 0.45
TP53 P04637 2/20 0.45
MAPK1 P28482 1/20 0.45
MEN1 O00255 1/20 0.43
NR1I2 O75469 1/20 0.43
CHRM2 P08172 1/20 0.43
ADRA2A P08913 1/20 0.43
MAPT P10636 1/20 0.43
OPRK1 P41145 1/20 0.43
HTR2B P41595 1/20 0.43
SLC6A3 Q01959 1/20 0.43
KMT2A Q03164 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
NAAA Q02083 1/20 0.43
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL1165789 0.98 TSHR (0.46) TSHRLMNAALDH1A1CYP3A4TP53
SCHEMBL27663466 0.94 TSHR (0.45) TSHRLMNAALDH1A1CYP3A4TP53
SCHEMBL4298978 0.89 LMNA (0.46) TSHRLMNAALDH1A1CYP3A4MEN1
SCHEMBL28598274 0.86 TSHR (0.49) TSHRLMNAALDH1A1CYP3A4TP53
SCHEMBL9623042 0.84 TSHR (0.47) TSHRLMNAALDH1A1CYP3A4TP53
Citric Acid SCHEMBL7430817 0.83 KDM4E (0.45) TSHRLMNAALDH1A1CYP3A4TP53
SCHEMBL4759819 0.83 KDM4E (0.43) LMNAALDH1A1CYP3A4MEN1MAPT
SCHEMBL9482513 0.82 TSHR (0.40) TSHRLMNAALDH1A1CYP3A4TP53
SCHEMBL9068153 0.81 TSHR (0.47) TSHRLMNAALDH1A1CYP3A4TP53
SCHEMBL11021679 0.80 ALDH1A1 (0.46) LMNAALDH1A1MEN1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1073470-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING COMPOUNDS WITH ACTIVITY FOR THE ENHANCEMENT OF ABSORPTION OF ACTIVE INGREDIENTS INPHARMA S.A. (CH) 2001-02-07 EP claimed
WO-2000048636-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING COMPOUNDS WITH ACTIVITY FOR THE ENHANCEMENT OF ABSORPTION OF ACTIVE INGREDIENTS INPHARMA S.A. (CH) 2000-08-24 WO claimed
EP-2068840-A2 HYDROPHOBIC ABUSE DETERRENT DELIVERY SYSTEM LAB International SRL (US) 2009-06-17 EP disclosed
EP-2049087-A2 HYDROPHILIC ABUSE DETERRENT DELIVERY SYSTEM LAB International SRL (US) 2009-04-22 EP disclosed
WO-2008011595-A9 HYDROPHOBIC ABUSE DETERRENT DELIVERY SYSTEM LAB INTERNAT SRL (US) 2008-03-06 WO disclosed
WO-2008011596-A2 HYDROPHILIC ABUSE DETERRENT DELIVERY SYSTEM LAB INTERNATIONAL SRL (US) 2008-01-24 WO disclosed
WO-2008011595-A2 HYDROPHOBIC ABUSE DETERRENT DELIVERY SYSTEM LAB INTERNATIONAL SRL (US) 2008-01-24 WO disclosed
EP-1727520-A2 METHOD OF PREPARATION OF MIXED PHASE CO-CRYSTALS WITH ACTIVE AGENTS MEDCRYSTALFORMS, LLC (US) 2006-12-06 EP disclosed
WO-2005055983-A2 METHOD OF PREPARATION OF MIXED PHASE CO-CRYSTALS WITH ACTIVE AGENTS MEDCRYSTALFORMS, LLC (US) 2005-06-23 WO disclosed