SCHEMBL7564099

SCHEMBL7564099

CC1(COCC2(C)CCCCCCCCCCC2)CCCCCCCCCCC1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.37
PARP1 P09874 1/20 0.37
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL6938889 1.00 HPGD (0.37) HPGDPARP1MEN1ALDH1A1TP53
SCHEMBL9750724 0.97 HPGD (0.34) HPGDPARP1MEN1ALDH1A1TP53
SCHEMBL10305806 0.87 HPGD (0.34) HPGDPARP1MEN1ALDH1A1TP53
SCHEMBL10447437 0.87 HPGD (0.34) HPGDPARP1MEN1ALDH1A1TP53
SCHEMBL10447629 0.87 HPGD (0.34) HPGDPARP1MEN1ALDH1A1TP53
SCHEMBL12972056 0.85 HPGD (0.34) HPGDPARP1MEN1ALDH1A1TP53
SCHEMBL3691224 0.85 HPGD (0.33) HPGDPARP1MEN1ALDH1A1TP53
SCHEMBL90746 0.83 PARP1 (0.32) HPGDPARP1
SCHEMBL19188768 0.83 HPGD (0.33) HPGDPARP1MEN1ALDH1A1TP53
SCHEMBL4383821 0.80 HPGD (0.33) HPGDPARP1MEN1ALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0672746-B1 Oxime ethers and perfume and flavouring compositions containing them GIVAUDAN SA (CH) 2002-05-29 EP disclosed
EP-0684299-B1 Dihydrofarnesal GIVAUDAN SA (CH) 2000-11-22 EP disclosed
EP-0684299-A2 Dihydrofarnesal GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) 1995-11-29 EP disclosed
EP-0672746-A1 Oxime ethers and perfume and flavouring compositions containing them GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) 1995-09-20 EP disclosed
EP-0479222-B1 Aromatic substances and/or flavours GIVAUDAN ROURE INT (CH) 1994-09-14 EP disclosed
EP-0479222-A1 Aromatic substances and/or flavours GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) 1992-04-08 EP disclosed
EP-0260585-B1 BICYCLIC KETONES, METHOD FOR THEIR PRODUCTION AND AROMA AND/OR FLAVOUR COMPOSITIONS CONTAINING SAID KETONES L. GIVAUDAN & CIE Société Anonyme (CH) 1991-10-16 EP disclosed
EP-0245315-B1 PROCESS FOR PREPARING $g(a)-HYDROXY CARBONYL COMPOUNDS L. GIVAUDAN & CIE Société Anonyme (CH) 1990-04-11 EP disclosed
EP-0245315-A1 PROCESS FOR PREPARING -g(a)-HYDROXY CARBONYL COMPOUNDS. GIVAUDAN & CIE SA (CH) 1987-11-19 EP disclosed
US-4572795-A UNSATURATED ACYCLIC ALCOHOLS GIVAUDAN CORPORATION (US) 1986-02-25 US disclosed
EP-0086944-B1 UNSATURATED ETHERS, PROCESS FOR THEIR PREPARATION, USE OF THESE ETHERS AS FRAGRANCES, AND FLAVOURING COMPOSITIONS CONTAINING THESE ETHERS L. GIVAUDAN & CIE Société Anonyme (CH) 1985-04-10 EP disclosed
EP-0086945-B1 ALKENOLS, PROCESS FOR THEIR PREPARATION, THEIR USE AS FRAGRANCES AND FLAVOURING COMPOSITIONS CONTAINING THESE ALKENOLS L. GIVAUDAN & CIE Société Anonyme (CH) 1984-12-05 EP disclosed
EP-0045453-B1 ALKENOLS (I) AND PROCESS FOR THEIR PREPARATION, UTILISATION OF (I) AS FRAGRANTS AND/OR AROMATIC COMPOUNDS, AS WELL AS A FRAGRANT AND/OR AROMATIC COMPOSITION CONTAINING (I) L. GIVAUDAN & CIE Société Anonyme (CH) 1984-02-15 EP disclosed
EP-0086944-A1 Unsaturated ethers, process for their preparation, use of these ethers as fragrances, and flavouring compositions containing these ethers L. GIVAUDAN & CIE Société Anonyme (CH) 1983-08-31 EP disclosed
EP-0086945-A1 Alkenols, process for their preparation, their use as fragrances and flavouring compositions containing these alkenols L. GIVAUDAN & CIE Société Anonyme (CH) 1983-08-31 EP disclosed
EP-0045453-A1 Alkenols (I) and process for their preparation, utilisation of (I) as fragrants and/or aromatic compounds, as well as a fragrant and/or aromatic composition containing (I) L. GIVAUDAN & CIE Société Anonyme (CH) 1982-02-10 EP disclosed
EP-0000771-B1 2,5,7-TRIMETHYLOCTANE-3-OL AND 2,4-DIMETHYLNONANE-8-OL; PROCESSES FOR THEIR PREPARATION; THEIR USE AS OLFACTORY AGENTS; OLFACTORY COMPOSITIONS CONTAINING THEM, AS WELL AS THE PREPARATION OF SUCH OLFACTORY COMPOSITIONS L. Givaudan & Cie Société Anonyme (CH) 1981-09-16 EP disclosed
EP-0002510-B1 CYCLOHEXANES, METHOD FOR THEIR PREPARATION, THEIR USE AND COMPOSITIONS CONTAINING THEM L. Givaudan & Cie Société Anonyme (CH) 1981-02-11 EP disclosed