SCHEMBL5168689

SCHEMBL5168689

CCCC(CC)(OC(=O)c1ccc(O)cc1)C(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.49
ESR1 P03372 5/20 0.49
TSHR P16473 3/20 0.49
ALDH1A1 P00352 2/20 0.49
CHRM1 P11229 1/20 0.49
SLC6A2 P23975 1/20 0.49
KDR P35968 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
CA12 O43570 3/20 0.47
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
CA7 P43166 3/20 0.47
CA9 Q16790 3/20 0.47
CA14 Q9ULX7 3/20 0.47
ESR2 Q92731 3/20 0.47
CYP1A2 P05177 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C19 P33261 2/20 0.46
LMNA P02545 1/20 0.46
NR1H2 P55055 1/20 0.46

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
SCHEMBL783456 0.83 ESR1 (0.49) MAPK1ESR1TSHRALDH1A1CHRM1
SCHEMBL17230529 0.77 ESR1 (0.56) MAPK1ESR1TSHRALDH1A1CHRM1
SCHEMBL1787582 0.76 CYP2D6 (0.51) MAPK1TSHRALDH1A1SLC6A2TDP1
SCHEMBL9634909 0.75 ESR1 (0.51) MAPK1ESR1TSHRALDH1A1CHRM1
SCHEMBL9132930 0.75 ESR1 (0.51) MAPK1ESR1TSHRALDH1A1CHRM1
SCHEMBL5698715 0.74 ESR1 (0.46) MAPK1ESR1TSHRALDH1A1CHRM1
SCHEMBL6256600 0.74 ESR1 (0.51) MAPK1ESR1TSHRALDH1A1CHRM1
SCHEMBL23380422 0.73 ELANE (0.45) MAPK1ESR1TSHRALDH1A1CHRM1
SCHEMBL23151968 0.73 ESR1 (0.54) MAPK1ESR1TSHRALDH1A1CHRM1
SCHEMBL38810 0.73 CA12 (0.59) MAPK1ESR1TSHRALDH1A1CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8551508-B2 Cosmetic, personal care, cleaning agent, and nutritional supplement compositions and methods of making and using same SCHOTT AG (DE) 2013-10-08 US disclosed
US-20070275021-A1 NEW COSMETIC, PERSONAL CARE, CLEANING AGENT, AND NUTRITIONAL SUPPLEMENT COMPOSITIONS AND METHODS OF MAKING AND USING SAME SCHOTT AG (DE) 2007-11-29 US disclosed
US-7250174-B2 As preservative SCHOTT AG (DE) 2007-07-31 US disclosed
EP-1272144-A4 NEW COSMETIC, PERSONAL CARE, CLEANING AGENT, AND NUTRITIONAL SUPPLEMENT COMPOSITIONS COMPRISING BIOACTIVE GLASS AND METHODS OF MAKING AND USING THE SAME SCHOTT AG (DE) 2006-04-26 EP disclosed
EP-1272144-A2 NEW COSMETIC, PERSONAL CARE, CLEANING AGENT, AND NUTRITIONAL SUPPLEMENT COMPOSITIONS COMPRISING BIOACTIVE GLASS AND METHODS OF MAKING AND USING THE SAME Schott Glas (DE) 2003-01-08 EP disclosed
US-20020086039-A1 As preservative SCHOTT AG (DE) 2002-07-04 US disclosed
WO-2001072262-A2 NEW COSMETIC, PERSONAL CARE, CLEANING AGENT, AND NUTRITIONAL SUPPLEMENT COMPOSITIONS COMPRISING BIOACTIVE GLASS AND METHODS OF MAKING AND USING THE SAME SCHOTT GLAS (DE) 2001-10-04 WO disclosed