SCHEMBL3225539

SCHEMBL3225539

CCCCCCC[C](C(C)CC)C(C)CC

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.44
CES1 P23141 3/20 0.44
LMNA P02545 2/20 0.43
MEN1 O00255 1/20 0.43
FAAH O00519 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43
GPR84 Q9NQS5 2/20 0.42
PPARG P37231 2/20 0.42
PPARD Q03181 2/20 0.42
PPARA Q07869 2/20 0.42
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
SLC22A6 Q4U2R8 1/20 0.42
SLC22A8 Q8TCC7 1/20 0.42
TLR2 O60603 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL7269030 0.88 CES2 (0.39) CES2CES1LMNAMEN1FAAH
SCHEMBL9223157 0.83 CA1 (0.50) CES2CES1LMNAMEN1FAAH
SCHEMBL7923708 0.83 FFAR4 (0.45) CES2CES1LMNAMEN1FAAH
SCHEMBL2505302 0.83 CA1 (0.50) CES2CES1LMNAMEN1FAAH
SCHEMBL10967910 0.80 CES2 (0.44) CES2CES1LMNAMEN1FAAH
SCHEMBL20500817 0.80 CES2 (0.44) CES2CES1LMNAMEN1FAAH
SCHEMBL583014 0.79 CES2 (0.48) CES2CES1LMNAMEN1FAAH
SCHEMBL8089273 0.79 CES2 (0.48) CES2CES1LMNAMEN1FAAH
SCHEMBL29084742 0.79 CES2 (0.48) CES2CES1LMNAMEN1FAAH
SCHEMBL5506970 0.77 CES2 (0.46) CES2CES1LMNAMEN1FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298432-A1 Cosmetic Compositions Containing Esters of 2-Butyloctanol COGNIS IP MANAGEMENT GMBH (DE) 2010-11-25 US claimed
EP-2051781-A1 COSMETIC COMPOSITIONS CONTAINING ESTERS OF 2-BUTYLOCTANOL Cognis IP Management GmbH (DE) 2009-04-29 EP claimed
WO-2008019794-A1 COSMETIC COMPOSITIONS CONTAINING ESTERS OF 2-BUTYLOCTANOL COGNIS IP MANAGEMENT GMBH (DE) 2008-02-21 WO claimed
EP-2071010-B1 GREASE IDEMITSU KOSAN CO (JP) 2019-08-07 EP disclosed
US-8703678-B2 Grease IDEMITSU KOSAN CO., LTD. (JP) 2014-04-22 US disclosed
US-20100298432-A1 Cosmetic Compositions Containing Esters of 2-Butyloctanol COGNIS IP MANAGEMENT GMBH (DE) 2010-11-25 US disclosed
US-20100035779-A1 GREASE IDEMITSU KOSAN CO., LTD (JP) 2010-02-11 US disclosed
EP-1503763-B1 THERAPEUTIC 1,2,3,6-TETRAHYDROPYRIMIDINE-2-ONE COMPOSITIONS AND METHODS THEREWITH CRAGMONT PHARMACEUTICALS LLC (US) 2009-12-02 EP disclosed
EP-2071010-A1 GREASE Idemitsu Kosan Co., Ltd. (JP) 2009-06-17 EP disclosed
EP-2051781-A1 COSMETIC COMPOSITIONS CONTAINING ESTERS OF 2-BUTYLOCTANOL Cognis IP Management GmbH (DE) 2009-04-29 EP disclosed
WO-2008019794-A1 COSMETIC COMPOSITIONS CONTAINING ESTERS OF 2-BUTYLOCTANOL COGNIS IP MANAGEMENT GMBH (DE) 2008-02-21 WO disclosed
EP-1503763-A1 THERAPEUTIC 1,2,3,6-TETRAHYDROPYRIMIDINE-2-ONE COMPOSITIONS AND METHODS THEREWITH Cragmont Pharmaceuticals, LLC (US) 2005-02-09 EP disclosed
WO-2003092697-A1 THERAPEUTIC 1,2,3,6-TETRAHYDROPYRIMIDINE-2-ONE COMPOSITIONS AND METHODS THEREWITH CRAGMONT PHARMACEUTICALS, LLC (US) 2003-11-13 WO disclosed