SCHEMBL1716459

SCHEMBL1716459

COc1cc(CC(C)(C)C(=O)O)ccc1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.62
ALDH1A1 P00352 2/20 0.62
GAA P10253 1/20 0.62
NFKB1 P19838 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
ALOX5 P09917 2/20 0.54
OR51E2 Q9H255 1/20 0.54
TAAR1 Q96RJ0 2/20 0.53
MAPK1 P28482 1/20 0.53
FOS P01100 1/20 0.51
TTR P02766 1/20 0.51
JUN P05412 1/20 0.51
NR3C1 P04150 1/20 0.51
HSD17B1 P14061 1/20 0.51
HSD17B2 P37059 1/20 0.51
LMNA P02545 1/20 0.51
GLA P06280 1/20 0.51
CYP3A4 P08684 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C8 P10632 1/20 0.50

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
SCHEMBL8974036 0.87 LDHA (0.57) ALDH1A1GAALMNAPPARAHTT
SCHEMBL8407767 0.86 TSHR (0.60) TSHRALDH1A1GAANFKB1TDP1
SCHEMBL31513490 0.86 TSHR (0.60) TSHRALDH1A1GAANFKB1TDP1
SCHEMBL6714749 0.85 ALDH1A1 (0.70) TSHRALDH1A1GAANFKB1TDP1
SCHEMBL9819512 0.85 ALDH1A1 (0.70) TSHRALDH1A1GAANFKB1TDP1
SCHEMBL7386597 0.83 ALDH1A1 (0.60) TSHRALDH1A1GAANFKB1TDP1
SCHEMBL358270 0.82 HSD17B2 (0.54) TSHRALDH1A1GAANFKB1TDP1
SCHEMBL21473951 0.82 PPARA (0.48) TSHRALDH1A1GAANFKB1TDP1
SCHEMBL13644181 0.82 KDM4E (0.70) TSHRALDH1A1GAANFKB1TDP1
SCHEMBL8342475 0.82 TAAR1 (0.61) TSHRALDH1A1GAANFKB1TDP1

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
EP-2810564-B1 Sensation masking composition TAKASAGO INT CORP (USA) (US) 2017-06-14 EP claimed
EP-1912516-B1 SENSATION MASKING COMPOSITION TAKASAGO INTERNAT CORP USA (US) 2014-06-25 EP claimed
EP-1716159-B1 BICYCLIC SILOXANE COMPOSITIONS FOR THE RELEASE OF ACTIVE INGREDIENTS MOMENTIVE PERFORMANCE MAT INC (US) 2011-07-13 EP claimed
EP-1697386-B1 ACTIVE INGREDIENT-RELEASING CYCLIC SILOXANES GEN ELECTRIC (US) 2007-10-10 EP claimed
EP-2145042-B2 TEXTILE SCENTING HENKEL AG & CO KGAA (DE) 2021-10-06 EP disclosed
EP-2145042-B1 TEXTILE SCENTING HENKEL AG & CO KGAA (DE) 2018-01-17 EP disclosed
EP-2145042-A1 TEXTILE SCENTING Henkel AG & Co. KGaA (DE) 2010-01-20 EP disclosed
WO-2008135306-A1 TEXTILE SCENTING HENKEL AG & CO. KGAA (DE) 2008-11-13 WO disclosed
EP-1928992-A1 CONSUMER PRODUCTS HAVING VARYING ODORS Henkel AG & Co. KGaA (DE) 2008-06-11 EP disclosed
EP-1922398-A1 CONSUMER PRODUCTS HAVING VARYING ODOR PATTERNS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2008-05-21 EP disclosed
WO-2007028479-A1 CONSUMER PRODUCTS HAVING VARYING ODORS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-03-15 WO disclosed
WO-2007028477-A1 CONSUMER PRODUCTS HAVING VARYING ODOR PATTERNS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-03-15 WO disclosed