SCHEMBL5187658

SCHEMBL5187658

CCCCCCC(O)CCC(=O)OC(C)(C)CCCC(C)C

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 5/20 0.48
FFAR4 Q5NUL3 1/20 0.46
FFAR1 O14842 1/20 0.46
NFKB1 P19838 1/20 0.42
FAAH O00519 2/20 0.42
ACACB O00763 1/20 0.40
ACACA Q13085 1/20 0.40
MAPT P10636 1/20 0.38
LMNA P02545 2/20 0.37
ACE2 Q9BYF1 1/20 0.36
KDM4E B2RXH2 1/20 0.36
DUSP3 P51452 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PSMD14 O00487 1/20 0.36
PLA2G1B P04054 1/20 0.36
MMP2 P08253 1/20 0.36
RAD52 P43351 1/20 0.36
ATG4B Q9Y4P1 1/20 0.36

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
SCHEMBL7706121 0.86 GPR84 (0.43) GPR84FFAR4FFAR1NFKB1FAAH
SCHEMBL5188208 0.83 LMNA (0.38) FAAHMAPTLMNA
SCHEMBL5188738 0.83 LMNA (0.38) FAAHMAPTLMNA
SCHEMBL5186531 0.82 LMNA (0.41) FAAHMAPTLMNAMEN1KMT2A
SCHEMBL23837218 0.78 FFAR4 (0.54) GPR84FFAR4FFAR1NFKB1FAAH
SCHEMBL17878534 0.77 CA1 (0.38) NFKB1LMNA
SCHEMBL5188239 0.77 CTSK (0.31) LMNA
SCHEMBL7882764 0.76 FFAR4 (0.59) GPR84FFAR4FFAR1NFKB1FAAH
SCHEMBL27177156 0.75 LMNA (0.47) MAPTLMNAACE2KDM4EDUSP3
SCHEMBL27176380 0.75 LMNA (0.47) MAPTLMNAACE2KDM4EDUSP3

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-6369248-B1 HYDROXY ESTERS FOR PERFUMES GIVAUDAN SA (CH) 2002-04-09 US claimed
EP-0989970-A1 FRAGRANCE PRECURSOR COMPOUNDS GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) 2000-04-05 EP claimed
WO-1998058899-A1 FRAGRANCE PRECURSOR COMPOUNDS GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) 1998-12-30 WO claimed
EP-1760067-A2 Compounds with protected hydroxy groups Givaudan SA (CH) 2007-03-07 EP disclosed
EP-0952142-B1 Compounds with protected hydroxy groups GIVAUDAN SA (CH) 2006-10-18 EP disclosed
US-6627763-B2 As precursors for organoleptic agents, such as fragrances, and masking agents and for antimicrobial agents GIVAUDAN SA 2003-09-30 US disclosed
US-20020193269-A1 Compounds having protected hydroxy groups GIVAUDAN SA, A SWITZERLAND CORPORATION 2002-12-19 US disclosed
US-6479682-B1 Compounds having protected hydroxy groups GIVAUDAN SA (CH) 2002-11-12 US disclosed
US-6437150-B1 WHEN ACTIVATED, THE ESTERS, CARBONATES, OR CARBAMATES ARE CLEAVED TO FORM ONE OR MORE LACTONES AND ORGANOLEPTICS SUCH AS FRAGRANCES, OR MASKING AGENTS, OR ANTIMICROBIAL AGENTS; STABLE UNDER TRANSPORT AND STORAGE CONDITIONS GIVAUDAN SA (CH) 2002-08-20 US disclosed
US-6369248-B1 HYDROXY ESTERS FOR PERFUMES GIVAUDAN SA (CH) 2002-04-09 US disclosed
EP-0989970-A1 FRAGRANCE PRECURSOR COMPOUNDS GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) 2000-04-05 EP disclosed
EP-0952142-A1 Compounds with protected hydroxy groups Givaudan Roure (International) S.A. (CH) 1999-10-27 EP disclosed
WO-1998058899-A1 FRAGRANCE PRECURSOR COMPOUNDS GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) 1998-12-30 WO disclosed