SCHEMBL4779036

SCHEMBL4779036

CC=CCCCC(C)(C)C(C)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.48
SOAT1 P35610 2/20 0.35
CYP1A2 P05177 3/20 0.33
CYP2C19 P33261 3/20 0.33
BLM P54132 3/20 0.33
HSD17B10 Q99714 3/20 0.33
GMNN O75496 2/20 0.33
USP2 O75604 2/20 0.33
POLB P06746 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C9 P11712 2/20 0.33
APEX1 P27695 2/20 0.33
RECQL P46063 2/20 0.33
CYP2D6 P10635 1/20 0.33
FAAH O00519 5/20 0.32
CES1 P23141 2/20 0.32
TERT O14746 3/20 0.31
MAPT P10636 2/20 0.31
FABP4 P15090 2/20 0.31
F7 P08709 2/20 0.31

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
SCHEMBL2572543 0.96 ACLY (0.50) ACLYSOAT1CYP1A2CYP2C19BLM
SCHEMBL5312616 0.94 ACLY (0.58) ACLYSOAT1CYP1A2CYP2C19BLM
SCHEMBL20544728 0.85 ACLY (0.38) ACLYPPARGPPARDPPARA
SCHEMBL18704281 0.83 ACLY (0.70) ACLYCYP1A2CYP2C19BLMHSD17B10
SCHEMBL21296596 0.83 ACLY (0.70) ACLYCYP1A2CYP2C19BLMHSD17B10
SCHEMBL13400167 0.78 GAA (0.40) ACLY
SCHEMBL23128406 0.78 ACLY (0.81) ACLYCYP1A2CYP2C19BLMHSD17B10
SCHEMBL28700364 0.78 ACLY (0.81) ACLYCYP1A2CYP2C19BLMHSD17B10
SCHEMBL10175004 0.77 ACLY (0.42) ACLYFAAHMAPT
SCHEMBL18092737 0.77 ACLY (0.34) ACLYPPARGPPARDPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022261956-A1 FRAGRANCE COMPOUNDS GIVAUDAN SA (CH) 2022-12-22 WO disclosed
WO-2021102896-A1 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2021-06-03 WO disclosed
WO-2008009841-A1 NEW ODORIFEROUS COMPOUNDS, SYNTHESIS PROCESS AND USES THEREOF V. MANE FILS (FR) 2008-01-24 WO disclosed