SCHEMBL5288720

SCHEMBL5288720

C=CC(=O)OCCCC.CC(=CO)C(=O)O

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 9/20 0.71
HPGD P15428 1/20 0.71
ALDH1A1 P00352 4/20 0.52
CYP3A4 P08684 1/20 0.52
ATM Q13315 1/20 0.50
HCAR2 Q8TDS4 4/20 0.49
TP53 P04637 2/20 0.43
HIF1A Q16665 2/20 0.43
HSD17B10 Q99714 1/20 0.43
THRB P10828 3/20 0.41
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 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
SCHEMBL350803 0.89 TSHR (0.73) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL1615355 0.89 TSHR (0.73) TSHRHPGDALDH1A1CYP3A4ATM
Styrene SCHEMBL4915269 0.87 TSHR (0.54) TSHRHPGDALDH1A1CYP3A4ATM
Acetic Acid SCHEMBL1275660 0.86 TSHR (0.88) TSHRHPGDALDH1A1CYP3A4ATM
Hydrogen Peroxide SCHEMBL28268342 0.86 TSHR (0.96) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL29842279 0.86 TSHR (0.69) TSHRHPGDALDH1A1CYP3A4ATM
Methacrylic Acid SCHEMBL168599 0.85 TSHR (0.79) TSHRHPGDALDH1A1CYP3A4ATM
Methacrylic Acid SCHEMBL2152133 0.85 TSHR (0.79) TSHRHPGDALDH1A1CYP3A4ATM
Acetic Acid SCHEMBL27639883 0.84 TSHR (0.85) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL20720574 0.84 TSHR (0.67) TSHRHPGDALDH1A1CYP3A4ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070044810-A1 Method of enhanced drug application JR CHEM, LLC 2007-03-01 US claimed
WO-2007005469-A2 METHOD OF ENHANCED BENZOYL PEROXIDE APPLICATION JR CHEM, LLC (US) 2007-01-11 WO claimed
US-20070003504-A1 Method of enhanced benzoyl peroxide application JR CHEM, LLC 2007-01-04 US claimed
WO-2007002880-A2 METHOD OF ENHANCED DRUG APPLICATION JR CHEM, LLC (US) 2007-01-04 WO claimed
US-20050013790-A1 External skin care composition KAO CORPORATION (JP) 2005-01-20 US claimed
US-20070044810-A1 Method of enhanced drug application JR CHEM, LLC 2007-03-01 US disclosed
WO-2007005469-A2 METHOD OF ENHANCED BENZOYL PEROXIDE APPLICATION JR CHEM, LLC (US) 2007-01-11 WO disclosed
US-20070003504-A1 Method of enhanced benzoyl peroxide application JR CHEM, LLC 2007-01-04 US disclosed
WO-2007002880-A2 METHOD OF ENHANCED DRUG APPLICATION JR CHEM, LLC (US) 2007-01-04 WO disclosed
US-6878378-B1 External skin care composition KAO CORPORATION (JP) 2005-04-12 US disclosed
US-20050013790-A1 External skin care composition KAO CORPORATION (JP) 2005-01-20 US disclosed
EP-1051965-A2 External skin care composition Kao Corporation (JP) 2000-11-15 EP disclosed