SCHEMBL10599208

SCHEMBL10599208

CC(=O)OC(C)CCCCCC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.47
FFAR1 O14842 2/20 0.47
TSHR P16473 5/20 0.46
LMNA P02545 1/20 0.46
NFKB1 P19838 1/20 0.46
PMP22 Q01453 1/20 0.46
ALDH1A1 P00352 4/20 0.46
GSTK1 Q9Y2Q3 1/20 0.44
FAAH O00519 1/20 0.44
PPARG P37231 6/20 0.43
PPARD Q03181 6/20 0.43
PPARA Q07869 6/20 0.43
HDAC11 Q96DB2 5/20 0.43
GPR84 Q9NQS5 4/20 0.43
TLR2 O60603 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
FABP4 P15090 2/20 0.43
PTPN1 P18031 2/20 0.43
SLC22A6 Q4U2R8 1/20 0.43
SLC22A8 Q8TCC7 1/20 0.43

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
SCHEMBL18994011 1.00 FFAR4 (0.47) FFAR4FFAR1TSHRLMNANFKB1
SCHEMBL4312997 0.92 TSHR (0.45) TSHRLMNANFKB1PMP22GSTK1
SCHEMBL8891074 0.92 TSHR (0.45) TSHRLMNANFKB1PMP22GSTK1
SCHEMBL5610948 0.88 TSHR (0.52) TSHRALDH1A1FAAHALOX15
SCHEMBL1300727 0.88 TSHR (0.52) TSHRALDH1A1FAAHALOX15
SCHEMBL11425834 0.88 TSHR (0.52) TSHRALDH1A1FAAHALOX15
SCHEMBL7757360 0.88 TSHR (0.52) TSHRALDH1A1FAAHALOX15
SCHEMBL4443385 0.88 TSHR (0.52) TSHRALDH1A1FAAHALOX15
SCHEMBL4444590 0.88 TSHR (0.52) TSHRALDH1A1FAAHALOX15
SCHEMBL1302084 0.88 TSHR (0.52) TSHRALDH1A1FAAHALOX15

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
EP-0177807-B1 HEXANOATES, PROCESS FOR THEIR PREPARATION AND PERFUMES AND/OR FLAVOURING AGENTS HAVING A CONTENT OF SUCH COMPOUNDS L. GIVAUDAN & CIE Société Anonyme (CH) 1989-03-15 EP claimed
EP-0177807-A2 Hexanoates, process for their preparation and perfumes and/or flavouring agents having a content of such compounds L. GIVAUDAN & CIE Société Anonyme (CH) 1986-04-16 EP claimed
EP-3380551-A1 POLYMERIC FLAME RETARDANT MIXTURES Clariant Plastics & Coatings Ltd (CH) 2018-10-03 EP disclosed
WO-2017089293-A1 POLYMERIC FLAME RETARDANT MIXTURES CLARIANT INTERNATIONAL LTD (CH) 2017-06-01 WO disclosed
EP-0177807-B1 HEXANOATES, PROCESS FOR THEIR PREPARATION AND PERFUMES AND/OR FLAVOURING AGENTS HAVING A CONTENT OF SUCH COMPOUNDS L. GIVAUDAN & CIE Société Anonyme (CH) 1989-03-15 EP disclosed
EP-0177807-A2 Hexanoates, process for their preparation and perfumes and/or flavouring agents having a content of such compounds L. GIVAUDAN & CIE Société Anonyme (CH) 1986-04-16 EP disclosed