SCHEMBL3813153

SCHEMBL3813153

CCCCCC(CCC)CC(CCCC)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 3/20 0.61
GRIK2 Q13002 3/20 0.61
SLC1A2 P43004 3/20 0.61
SLC1A1 P43005 3/20 0.61
SLC1A3 P43003 2/20 0.58
CA2 P00918 4/20 0.57
MAPK1 P28482 1/20 0.57
CHRM1 P11229 1/20 0.48
AKR1A1 P14550 1/20 0.48
CHRM3 P20309 1/20 0.48
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.48
ADRA1A P35348 1/20 0.48
HRH1 P35367 1/20 0.48
DRD3 P35462 1/20 0.48
SLC6A3 Q01959 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
GPR84 Q9NQS5 3/20 0.46

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
SCHEMBL20918461 0.98 GRIK1 (0.62) GRIK1GRIK2SLC1A2SLC1A1SLC1A3
SCHEMBL20873737 0.98 GRIK1 (0.62) GRIK1GRIK2SLC1A2SLC1A1SLC1A3
SCHEMBL3127351 0.96 GRIK1 (0.64) GRIK1GRIK2SLC1A2SLC1A1SLC1A3
SCHEMBL3813673 0.96 GRIK1 (0.64) GRIK1GRIK2SLC1A2SLC1A1SLC1A3
SCHEMBL23071647 0.94 GRIK1 (0.66) GRIK1GRIK2SLC1A2SLC1A1SLC1A3
SCHEMBL3964378 0.94 GRIK1 (0.66) GRIK1GRIK2SLC1A2SLC1A1SLC1A3
SCHEMBL7204242 0.94 GRIK1 (0.66) GRIK1GRIK2SLC1A2SLC1A1SLC1A3
SCHEMBL3970104 0.94 GRIK1 (0.66) GRIK1GRIK2SLC1A2SLC1A1SLC1A3
SCHEMBL19025278 0.94 GRIK1 (0.66) GRIK1GRIK2SLC1A2SLC1A1SLC1A3
SCHEMBL3969952 0.94 GRIK1 (0.66) GRIK1GRIK2SLC1A2SLC1A1SLC1A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1858480-B3 COSMETIC COMPOSITIONS COMPRISING ESTER BASED ON 2-PROPYLHEPTANOL COGNIS IP MAN GMBH (DE) 2020-05-06 EP disclosed
US-9314413-B2 Cosmetic compositions containing esters based on 2-propylheptanol COGNIS IP MANAGEMENT GMBH (DE) 2016-04-19 US disclosed
US-9314414-B2 Cosmetic compositions containing esters based on 2-propylheptanol COGNIS IP MANAGEMENT GMBH (DE) 2016-04-19 US disclosed
US-20140121286-A1 Cosmetic Compositions Containing Esters Based on 2-Propylheptanol COGNIS IP MANAGEMENT GMBH (DE) 2014-05-01 US disclosed
US-20140121394-A1 Cosmetic Compositions Containing Esters Based on 2-Propylheptanol COGNIS IP MANAGEMENT GMBH (DE) 2014-05-01 US disclosed
US-8642652-B2 Cosmetic compositions containing esters based on 2-propylheptanol COGNIS IP MANAGEMENT GMBH (DE) 2014-02-04 US disclosed
EP-1858480-B1 COSMETIC COMPOSITIONS COMPRISING ESTER BASED ON 2-PROPYLHEPTANOL COGNIS IP MAN GMBH (DE) 2013-05-29 EP disclosed
US-20090182046-A1 Cosmetic Compositions Containing Esters Based on 2-Propylheptanol COGNIS IP MANAGEMENT GMBH (DE) 2009-07-16 US disclosed
EP-1858480-A1 COSMETIC COMPOSITIONS CONTAINING ESTERS BASED ON 2-PROPYLHEPTANOL Cognis IP Management GmbH (DE) 2007-11-28 EP disclosed
WO-2006097235-A1 COSMETIC COMPOSITIONS CONTAINING ESTERS BASED ON 2-PROPYLHEPTANOL COGNIS IP MANAGEMENT GMBH (DE) 2006-09-21 WO disclosed