SCHEMBL5708357

SCHEMBL5708357

C=CCCC(=O)C1=CCC(C)(C)CC1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ NLRP3 Q96P20 1/20 0.30

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
SCHEMBL11174692 0.86 MEN1 (0.34) MEN1KMT2A
SCHEMBL11410857 0.84 SRD5A2 (0.30) —
SCHEMBL29639707 0.77 CHRNB2 (0.39) —
SCHEMBL112059 0.77 MEN1 (0.33) MEN1KMT2A
SCHEMBL7776586 0.74 — —
SCHEMBL1480337 0.73 ALDH1A1 (0.30) —
SCHEMBL7771819 0.73 POLB (0.32) MEN1KMT2A
SCHEMBL21189905 0.73 FAAH (0.31) —
SCHEMBL16322603 0.72 — —
SCHEMBL11973867 0.72 NPC1 (0.31) —

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-4147672-A Cyclic C6 ketones in perfumes FIRMENICH SA (CH) 1979-04-03 — — US claimed
EP-1697293-A1 USE OF (Z)-7-CYCLOHEXADECENE-1-ONE AS A PERFUME Symrise GmbH & Co. KG (DE) 2006-09-06 — — EP disclosed
WO-2005063670-A1 USE OF (Z)-7-CYCLOHEXADECENE-1-ONE AS A PERFUME SYMRISE GMBH & CO. KG (DE) 2005-07-14 — — WO disclosed
US-4289659-A CYCLOHEXANE DERIVATIVES FIRMENICH SA (CH) 1981-09-15 — — US disclosed
US-4264467-A Cyclic C6 compounds and their use in perfumes FIRMENICH SA (CH) 1981-04-28 — — US disclosed
US-4147672-A Cyclic C6 ketones in perfumes FIRMENICH SA (CH) 1979-04-03 — — US disclosed
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