SCHEMBL7564091

SCHEMBL7564091

CC1(CO)CCCCCCCCCCC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.46
ALDH1A1 P00352 2/20 0.31
USP2 O75604 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
TSHR P16473 1/20 0.31
BLM P54132 1/20 0.31
CACNA2D1 P54289 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MAPT P10636 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
SCHEMBL12361092 1.00 EPHX1 (0.46) EPHX1ALDH1A1USP2LMNACYP1A2
SCHEMBL17633 1.00
SCHEMBL14899639 1.00 EPHX1 (0.46) EPHX1ALDH1A1USP2LMNACYP1A2
Ammonia Solution, Strong SCHEMBL1928280 0.97 EPHX1 (0.43) EPHX1ALDH1A1USP2LMNACYP1A2
SCHEMBL17427 0.97
Ammonia Solution, Strong SCHEMBL2283862 0.94
SCHEMBL1930892 0.90
Ammonia Solution, Strong SCHEMBL2289542 0.88
SCHEMBL18360563 0.83 ALDH1A1 (0.39) EPHX1ALDH1A1
SCHEMBL31303847 0.83 EPHX1 (0.53) EPHX1

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 17 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
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