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
Send feedback