SCHEMBL5152452

SCHEMBL5152452

CCCCc1cc(O)ccc1C(=O)[O-].CCCCc1cc(O)ccc1C(=O)[O-].CCCCc1cc(O)ccc1C(=O)[O-].CCCCc1cc(O)ccc1C(=O)[O-].[Ti+4]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.53
ALDH1A1 P00352 2/20 0.48
GAA P10253 1/20 0.48
ERAP1 Q9NZ08 1/20 0.48
KDM4E B2RXH2 1/20 0.48
HTT P42858 2/20 0.46
ALOX5 P09917 2/20 0.46
MEN1 O00255 1/20 0.46
TP53 P04637 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAPT P10636 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HSP90AB1 P08238 1/20 0.41
GABRP O00591 1/20 0.40
GABRD O14764 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRB1 P18505 1/20 0.40

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
SCHEMBL344000 0.97 TYR (0.53) TYRALDH1A1GAAERAP1KDM4E
SCHEMBL2325181 0.97 TYR (0.53) TYRALDH1A1GAAERAP1KDM4E
Potassium Ion SCHEMBL761984 0.97 TYR (0.53) TYRALDH1A1GAAERAP1KDM4E
Potassium Ion SCHEMBL851715 0.87 HSD17B3 (0.45) TYRALDH1A1GAAERAP1KDM4E
Zinc Ion SCHEMBL11170436 0.87 HSD17B3 (0.45) TYRALDH1A1GAAERAP1KDM4E
SCHEMBL137806 0.87 HSD17B3 (0.45) TYRKDM4EHTTALOX5MEN1
Water SCHEMBL8361961 0.85 HSD17B3 (0.44) TYRALDH1A1GAAERAP1KDM4E
SCHEMBL10545932 0.85 TYR (0.58) TYRALDH1A1GAAERAP1KDM4E
SCHEMBL39293 0.83 TYR (0.56) TYRALDH1A1GAAERAP1KDM4E
SCHEMBL10485919 0.83 TYR (0.56) TYRALDH1A1GAAERAP1KDM4E

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