SCHEMBL6559290

SCHEMBL6559290

CC(=O)OCC1CCC(C(C)C)CC1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 8/20 0.38
LMNA P02545 2/20 0.37
NLRP3 Q96P20 2/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34
JAK3 P52333 1/20 0.34
SLC1A3 P43003 2/20 0.33
SLC1A2 P43004 2/20 0.33
SLC1A1 P43005 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL11882934 1.00 HCRTR2 (0.38) HCRTR2LMNANLRP3JAK2JAK1
SCHEMBL11880271 1.00 HCRTR2 (0.38) HCRTR2LMNANLRP3JAK2JAK1
SCHEMBL17029138 0.85 ALDH1A1 (0.43) LMNANLRP3JAK2JAK1TYK2
SCHEMBL6256094 0.85
SCHEMBL5696892 0.85 ALDH1A1 (0.43) LMNANLRP3JAK2JAK1TYK2
Hydrochloric Acid SCHEMBL28064641 0.83
SCHEMBL6559699 0.81 ALDH1A1 (0.35) HCRTR2LMNAALDH1A1HSD17B10TSHR
SCHEMBL22109520 0.80 LMNA (0.34) HCRTR2LMNASLC1A3SLC1A2SLC1A1
SCHEMBL21243352 0.79 TP53 (0.49) HCRTR2LMNASLC1A3SLC1A2SLC1A1
SCHEMBL10020225 0.78 ALDH1A1 (0.37) LMNANLRP3JAK2JAK1TYK2

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-0977548-B1 FRAGRANCE PRO-ACCORDS PROCTER & GAMBLE (US) 2004-08-18 EP disclosed
US-20040092423-A1 Composition for reducing fabric wrinkles and method for using the same DIAL CORPORATION, THE 2004-05-13 US disclosed
WO-2003089020-A1 COMPOSITION FOR REDUCING MALODORS AND METHOD FOR USING THE SAME THE DIAL CORPORATION (US) 2003-10-30 WO disclosed
US-20030199402-A1 Composition for reducing malodors and method for using the same DIAL CORPORATION, THE 2003-10-23 US disclosed
CN-1298378-A Tertiary alcohol fragrance raw material delivery system PROCTER & GAMBLE (US) 2001-06-06 CN disclosed
WO-1998047996-A1 LAUNDRY DETERGENT COMPOSITIONS COMPRISING FRAGRANCE PRO-ACCORDS THE PROCTER & GAMBLE COMPANY (US) 1998-10-29 WO disclosed
US-4719105-A Method, compositions and compounds useful in room fresheners employing cyclohexyl alcohol and ester derivatives BUSH BOAKE ALLEN, INC. (GB) 1988-01-12 US disclosed
US-4622221-A Method, compositions and compounds, useful in room fresheners employing cyclohexyl alcohol and ester derivatives BUSH BOAKE ALLEN INC. (US) 1986-11-11 US disclosed
US-3993604-A ORGANOLEPTIC, PERFUMES, FLAVORS FIRMENICH S.A. (CH) 1976-11-23 US disclosed