SCHEMBL3818239

SCHEMBL3818239

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.56
FFAR1 O14842 2/20 0.56
GRIK1 P39086 2/20 0.55
GRIK2 Q13002 2/20 0.55
GPR84 Q9NQS5 7/20 0.53
PPARG P37231 7/20 0.53
PPARD Q03181 7/20 0.53
PPARA Q07869 7/20 0.53
HDAC11 Q96DB2 5/20 0.53
TSHR P16473 4/20 0.53
PTPN1 P18031 3/20 0.53
ALDH1A1 P00352 3/20 0.53
TLR2 O60603 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
FABP4 P15090 2/20 0.53
KMT2A Q03164 2/20 0.53
SLC22A6 Q4U2R8 1/20 0.53
SLC22A8 Q8TCC7 1/20 0.53
MEN1 O00255 1/20 0.53
ESR1 P03372 1/20 0.53

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
SCHEMBL3815346 1.00 FFAR4 (0.56) FFAR4FFAR1GRIK1GRIK2GPR84
SCHEMBL3809955 1.00 FFAR4 (0.56) FFAR4FFAR1GRIK1GRIK2GPR84
SCHEMBL3810653 1.00 FFAR4 (0.56) FFAR4FFAR1GRIK1GRIK2GPR84
SCHEMBL3816608 1.00 FFAR4 (0.56) FFAR4FFAR1GRIK1GRIK2GPR84
SCHEMBL3813892 0.98 GRIK1 (0.54) FFAR4FFAR1GRIK1GRIK2GPR84
SCHEMBL3819799 0.95 GRIK1 (0.54) FFAR4FFAR1GRIK1GRIK2GPR84
SCHEMBL3752121 0.95 FFAR4 (0.57) FFAR4FFAR1GRIK1GRIK2GPR84
SCHEMBL2477780 0.94 GRIK1 (0.58) FFAR4FFAR1GRIK1GRIK2GPR84
SCHEMBL3127351 0.92 GRIK1 (0.64) FFAR1GRIK1GRIK2GPR84PPARD
SCHEMBL3813673 0.92 GRIK1 (0.64) FFAR1GRIK1GRIK2GPR84PPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20090182046-A1 Cosmetic Compositions Containing Esters Based on 2-Propylheptanol COGNIS IP MANAGEMENT GMBH (DE) 2009-07-16 US disclosed