SCHEMBL1769737

SCHEMBL1769737

CCCCOC(CC)OC(C)O

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.32
DNM1 Q05193 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ADRB2 P07550 1/20 0.31
ADRB1 P08588 1/20 0.31
ADRB3 P13945 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
SPHK1 Q9NYA1 1/20 0.30

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
SCHEMBL6021543 0.87 HSD17B10 (0.38) TSHRHSD17B10TDP1
SCHEMBL1769786 0.86 SMPD1 (0.32) TSHRDNM1ALDH1A1HSD17B10ADRB2
SCHEMBL28261946 0.84 ADRB2 (0.38) TSHRDNM1ALDH1A1ADRB2ADRB1
SCHEMBL3284323 0.84 CYP3A4 (0.33) TSHR
SCHEMBL201309 0.83 TSHR (0.48) TSHRDNM1ALDH1A1ADRB2ADRB1
SCHEMBL6377135 0.83 DNM1 (0.33) TSHRDNM1ADRB2ADRB1ADRB3
SCHEMBL8733701 0.82 TDP1 (0.43) TSHRHSD17B10TDP1SPHK1
SCHEMBL6375012 0.81 DNM1 (0.32) DNM1ADRB2ADRB1ADRB3CA1
SCHEMBL3294664 0.80 TSHR (0.34) TSHR
SCHEMBL2311733 0.79 ADRB2 (0.41) TSHRDNM1ALDH1A1ADRB2ADRB1

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
US-8173585-B2 Acidic hard surface cleaning compositions RECKITT BENCKISER (UK) LIMITED (GB) 2012-05-08 US disclosed
US-20110112006-A1 IMPROVEMENTS IN ACIDIC HARD SURFACE CLEANING COMPOSITIONS RECKITT BENCKISER (UK) LIMITED (GB) 2011-05-12 US disclosed
EP-2089500-A1 IMPROVEMENTS IN ACIDIC HARD SURFACE CLEANING COMPOSITIONS Reckitt Benckiser Healthcare (UK) Limited (GB) 2009-08-19 EP disclosed
US-20080242583-A1 Composition and Method RECKITT BENCKISER (UK) LIMITED (GB) 2008-10-02 US disclosed
US-20080171685-A1 Cleaning Composition and Method RECKITT BENCKISER (UK) LIMITED (GB) 2008-07-17 US disclosed
WO-2008068488-A1 IMPROVEMENTS IN ACIDIC HARD SURFACE CLEANING COMPOSITIONS RECKITT BENCKISER (UK) LIMITED (GB) 2008-06-12 WO disclosed
EP-1734106-A1 Cleaning composition and method Reckitt Benckiser (UK) LIMITED (GB) 2006-12-20 EP disclosed
EP-0786517-B1 Detergent composition UNILEVER NV (NL) 2001-09-19 EP disclosed
EP-0786517-A1 Detergent composition UNILEVER N.V. (NL) 1997-07-30 EP disclosed