SCHEMBL11028561

SCHEMBL11028561

C=C/C(C)=C/CCC(C)(O)C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.44
HIF1A Q16665 1/20 0.32
EPAS1 Q99814 1/20 0.32

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
SCHEMBL11028563 1.00 ALOX15 (0.44) ALOX15HIF1AEPAS1
SCHEMBL111320 0.83 ALOX15 (0.47) ALOX15HIF1AEPAS1
SCHEMBL11767058 0.83 ALOX15 (0.47) ALOX15HIF1AEPAS1
SCHEMBL111319 0.83 ALOX15 (0.47) ALOX15HIF1AEPAS1
SCHEMBL31410647 0.78 ALOX15 (0.42) ALOX15
SCHEMBL11114925 0.73 ALOX15 (0.38) ALOX15HIF1AEPAS1
SCHEMBL11114922 0.73 ALOX15 (0.38) ALOX15HIF1AEPAS1
SCHEMBL1551096 0.69 FFAR1 (0.47) ALOX15HIF1A
SCHEMBL1551733 0.69 GAA (0.38) ALOX15HIF1AEPAS1
SCHEMBL1551095 0.69 FFAR1 (0.47) ALOX15HIF1A

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
EP-0045861-B1 UNSATURATED COMPOUNDS, PROCESS FOR THEIR PREPARATION, THEIR USE AS PERFUMES AND THE PERFUMED COMPOSITIONS CONTAINING THEM L. GIVAUDAN & CIE Société Anonyme (CH) 1984-10-03 EP claimed
US-4426321-A Odorant alkadienyl ketones, alcohols and oximes GIVAUDAN CORPORATION (US) 1984-01-17 US claimed
EP-0045861-A2 Unsaturated compounds, process for their preparation, their use as perfumes and the perfumed compositions containing them L. GIVAUDAN & CIE Société Anonyme (CH) 1982-02-17 EP claimed
EP-0045861-B1 UNSATURATED COMPOUNDS, PROCESS FOR THEIR PREPARATION, THEIR USE AS PERFUMES AND THE PERFUMED COMPOSITIONS CONTAINING THEM L. GIVAUDAN & CIE Société Anonyme (CH) 1984-10-03 EP disclosed
US-4426321-A Odorant alkadienyl ketones, alcohols and oximes GIVAUDAN CORPORATION (US) 1984-01-17 US disclosed
EP-0045861-A2 Unsaturated compounds, process for their preparation, their use as perfumes and the perfumed compositions containing them L. GIVAUDAN & CIE Société Anonyme (CH) 1982-02-17 EP disclosed