SCHEMBL5042652

SCHEMBL5042652

CC(C)CCCC1=CCC(C=O)CC1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.44
PGGT1B P53609 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.31
HIF1A Q16665 1/20 0.31
EPAS1 Q99814 1/20 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
SCHEMBL623392 0.80 CES2 (0.31) FNTAPGGT1BSMN1; SMN2
SCHEMBL21591813 0.80 CES2 (0.31) FNTAPGGT1BSMN1; SMN2
SCHEMBL4824026 0.79 FNTA (0.43) FNTAPGGT1BSMN1; SMN2
SCHEMBL22854458 0.77 FNTA (0.43) FNTAPGGT1BSMN1; SMN2HIF1AEPAS1
Lyral SCHEMBL20605413 0.76 CES2 (0.39)
Lyral SCHEMBL112060 0.76 CES2 (0.39)
SCHEMBL20019219 0.76 FNTA (0.40) FNTAPGGT1B
SCHEMBL16260973 0.75 FNTA (0.41) FNTAPGGT1B
SCHEMBL10708005 0.74 CES2 (0.33)
SCHEMBL11701932 0.74 ALDH1A1 (0.37)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117813077-A Composition and method for producing the same 西姆莱斯股份公司 2024-04-02 CN disclosed
US-20200408738-A1 METHOD FOR IDENTIFYING POSITIVE ALLOSTERIC MODULATORS FOR ODORANT RECEPTORS FIRMENICH SA (CH) 2020-12-31 US disclosed
EP-3411465-A1 COMPOSITIONS CONTAINING ANTIFOAMS The Procter and Gamble Company (US) 2018-12-12 EP disclosed
WO-2017136370-A1 COMPOSITIONS CONTAINING ANTIFOAMS THE PROCTER & GAMBLE COMPANY (US) 2017-08-10 WO disclosed
WO-2012107113-A1 FUNCTIONAL INK HENKEL AG & CO. KGAA (DE) 2012-08-16 WO disclosed
US-20080294078-A1 Manual Device, Method and their Use for the Stimulation of Body regions via the Skin, in particular of the Female Breast LEURS AUGUSTE 2008-11-27 US disclosed
US-4760050-A Comprising fragrance materials NAARDEN INTL. N.V. (NL) 1988-07-26 US disclosed