SCHEMBL7706121

SCHEMBL7706121

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

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 5/20 0.43
FFAR4 Q5NUL3 2/20 0.41
FFAR1 O14842 2/20 0.41
FAAH O00519 2/20 0.38
NFKB1 P19838 1/20 0.38
ACACB O00763 1/20 0.35
ACACA Q13085 1/20 0.35
TSHR P16473 1/20 0.34
MAPT P10636 1/20 0.34
ABCB1 P08183 1/20 0.34
LMNA P02545 2/20 0.33

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
SCHEMBL5187658 0.86 GPR84 (0.48) GPR84FFAR4FFAR1FAAHNFKB1
SCHEMBL7705563 0.84 TSHR (0.38) FAAHTSHRMAPTLMNA
SCHEMBL8668332 0.83 MEN1 (0.31) NFKB1TSHR
SCHEMBL3162009 0.81 TSHR (0.38) FAAHTSHRMAPTLMNA
SCHEMBL8580050 0.77 TSHR (0.34) FAAHTSHRMAPTLMNA
Lithium Ion SCHEMBL8502167 0.76 TSHR (0.33) FAAHTSHRMAPTLMNA
SCHEMBL23837218 0.73 FFAR4 (0.54) GPR84FFAR4FFAR1FAAHNFKB1
SCHEMBL3161360 0.73 MGAM (0.33) LMNA
SCHEMBL5728051 0.73 GPR84 (0.40) GPR84FFAR4FFAR1FAAHNFKB1
SCHEMBL158257 0.72 GAA (0.37) LMNA

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-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
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
WO-1998058899-A1 FRAGRANCE PRECURSOR COMPOUNDS GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) 1998-12-30 WO disclosed