SCHEMBL2864052

SCHEMBL2864052

CCCOC1CC(C)(C)N(O)C(C)(C)C1.CCCOC1CC(C)(C)N(OC(C)=O)C(C)(C)C1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 1/20 0.39
ESR1 P03372 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GAA P10253 2/20 0.35
MEN1 O00255 1/20 0.35
HTT P42858 1/20 0.34

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
SCHEMBL987130 0.94 TSHR (0.50) TSHRKMT2AALDH1A1ESR1HSD17B10
Acetic Acid SCHEMBL987129 0.88 GAA (0.37) TSHRKMT2AALDH1A1ESR1HSD17B10
SCHEMBL987059 0.86 GAA (0.38) GAAHTT
SCHEMBL1138597 0.78 TSHR (0.35) TSHRKMT2AALDH1A1ESR1HSD17B10
SCHEMBL15672481 0.77 GAA (0.41) GAAHTT
SCHEMBL2218799 0.76 GAA (0.35) GAAHTT
Oxalic Acid SCHEMBL3797612 0.76 TSHR (0.36) TSHRKMT2AALDH1A1ESR1HSD17B10
Oxalic Acid SCHEMBL3797605 0.76 TSHR (0.36) TSHRKMT2AALDH1A1ESR1HSD17B10
Acetic Acid SCHEMBL988128 0.75 TSHR (0.35) TSHRKMT2AALDH1A1ESR1HSD17B10
SCHEMBL13554331 0.74 GAA (0.34) TSHRKMT2AGAAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1680541-B1 STABILIZED BODY CARE PRODUCTS, HOUSEHOLD PRODUCTS, TEXTILES AND FABRICS BASF SE (DE) 2012-12-19 EP claimed
EP-1499286-B1 STABILIZED BODY CARE PRODUCTS AND HOUSEHOLD PRODUCTS BASF SE (DE) 2010-04-07 EP claimed
EP-1680541-A2 STABILIZED BODY CARE PRODUCTS, HOUSEHOLD PRODUCTS, TEXTILES AND FABRICS Ciba SC Holding AG (CH) 2006-07-19 EP claimed
WO-2005042828-A2 STABILIZED BODY CARE PRODUCTS, HOUSEHOLD PRODUCTS, TEXTILES AND FABRICS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2005-05-12 WO claimed
EP-1499286-A1 STABILIZED BODY CARE PRODUCTS, HOUSEHOLD PRODUCTS, TEXTILES AND FABRICS Ciba SC Holding AG (CH) 2005-01-26 EP claimed
WO-2003103622-A1 STABILIZED BODY CARE PRODUCTS, HOUSEHOLD PRODUCTS, TEXTILES AND FABRICS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2003-12-18 WO claimed