SCHEMBL11337283

SCHEMBL11337283

CC(C)CC(C)(CC(C)C)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.48
TSHR P16473 2/20 0.48
CYP2D6 P10635 2/20 0.48
HIF1A Q16665 1/20 0.48
GRM2 Q14416 1/20 0.38
GRM3 Q14832 1/20 0.38
ALDH1A1 P00352 2/20 0.38
MMP8 P22894 1/20 0.35
FPR2 P25090 1/20 0.35
RNPEP Q9H4A4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SLC7A5 Q01650 1/20 0.33
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL13533400 0.87 CYP2C19 (0.42) CYP2C19TSHRCYP2D6HIF1AGRM2
SCHEMBL1716424 0.87 CYP2C19 (0.42) CYP2C19TSHRCYP2D6HIF1AGRM2
SCHEMBL6863275 0.85 CYP2C19 (0.65) CYP2C19TSHRCYP2D6HIF1AGRM2
SCHEMBL9886625 0.85 CYP2C19 (0.65) CYP2C19TSHRCYP2D6HIF1AGRM2
SCHEMBL20465364 0.85 TSHR (0.41) CYP2C19TSHRCYP2D6HIF1AGRM2
SCHEMBL11591562 0.84 TSHR (0.39) CYP2C19TSHRCYP2D6HIF1AGRM2
SCHEMBL27817259 0.82 CYP2D6 (0.38) CYP2C19TSHRCYP2D6HIF1AGRM2
SCHEMBL4580237 0.81 TSHR (0.46) CYP2C19TSHRCYP2D6HIF1AALDH1A1
SCHEMBL11793336 0.80 TSHR (0.37) CYP2C19TSHRCYP2D6HIF1AGRM2
SCHEMBL18050601 0.79 CES2 (0.36) CYP2C19TSHRCYP2D6HIF1AALDH1A1

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
EP-1737937-B1 PERFUME COMPOSITIONS GIVAUDAN NEDERLAND SERVICES BV (NL) 2013-06-12 EP claimed
US-20150315116-A1 PURE PLANT MOTHER LIQUOR SOLVENT EXTRACTION SYSTEM AND METHOD INVISTA NORTH AMERICA S.A.R.L. 2015-11-05 US disclosed
WO-2015157082-A1 MINIMIZING RECYCLE OF P-TOLUIC ACID WITHIN A PTA PURIFICATION PLANT INVISTA NORTH AMERICA S.A.R.L. (US) 2015-10-15 WO disclosed
EP-2914571-A1 PURE PLANT MOTHER LIQUOR SOLVENT EXTRACTION SYSTEM AND METHOD Invista Technologies S.à.r.l. (CH) 2015-09-09 EP disclosed
WO-2014070766-A1 PURE PLANT MOTHER LIQUOR SOLVENT EXTRACTION SYSTEM AND METHOD INVISTA NORTH AMERCIA S.A. R.L. (US) 2014-05-08 WO disclosed
US-20140121406-A1 PURE PLANT MOTHER LIQUOR SOLVENT EXTRACTION SYSTEM AND METHOD INVISTA NORTH AMERICA S.A.R.L. (US) 2014-05-01 US disclosed
US-4296255-A USEFUL IN TOILETRIES WILKINSON SWORD LIMITED (GB) 1981-10-20 US disclosed
US-4230688-A FOODS, TOILETRIES WILKINSON SWORD LIMITED (GB) 1980-10-28 US disclosed
US-4153679-A IN TOILETRIES, FOODS, BEVERAGES AND TOBACCO PRODUCTS WILKINSON SWORD LIMITED (GB) 1979-05-08 US disclosed