SCHEMBL25523364

SCHEMBL25523364

CCCOCCOC1CC(C)CCC1C(C)C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.61
LMNA P02545 2/20 0.45
KDM4E B2RXH2 1/20 0.43
APOBEC3A P31941 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
GAA P10253 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 1/20 0.40
P2RX4 Q99571 1/20 0.40
TRPA1 O75762 2/20 0.40
TRPM8 Q7Z2W7 2/20 0.40
NTSR1 P30989 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
EPHX1 P07099 2/20 0.39
HPGD P15428 1/20 0.39
CYP19A1 P11511 2/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL1617771 1.00 ALDH1A1 (0.61) ALDH1A1LMNAKDM4EAPOBEC3AAPOBEC3G
SCHEMBL1617164 0.97 ALDH1A1 (0.58) ALDH1A1LMNAKDM4EAPOBEC3AAPOBEC3G
SCHEMBL1617637 0.97 ALDH1A1 (0.58) ALDH1A1LMNAKDM4EAPOBEC3AAPOBEC3G
SCHEMBL1616610 0.94 ALDH1A1 (0.58) ALDH1A1LMNAKDM4EAPOBEC3AAPOBEC3G
SCHEMBL28140415 0.94 ALDH1A1 (0.69) ALDH1A1LMNAKDM4EAPOBEC3AAPOBEC3G
SCHEMBL1617799 0.92 ALDH1A1 (0.60) ALDH1A1LMNAKDM4EAPOBEC3AAPOBEC3G
SCHEMBL28446925 0.92 ALDH1A1 (0.60) ALDH1A1LMNAKDM4EAPOBEC3AAPOBEC3G
SCHEMBL1616024 0.92 ALDH1A1 (0.60) ALDH1A1LMNAKDM4EAPOBEC3AAPOBEC3G
SCHEMBL1617228 0.91 ALDH1A1 (0.58) ALDH1A1LMNAKDM4EAPOBEC3AAPOBEC3G
SCHEMBL1618143 0.91 ALDH1A1 (0.58) ALDH1A1LMNAKDM4EAPOBEC3AAPOBEC3G

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4230060-A1 SMOKING PRODUCT CONTAINING NOVEL FLAVORING AGENT KT & G Corporation (KR) 2023-08-23 EP disclosed
EP-4223928-A1 WALLPAPER COMPOSITION AND WALLPAPER EMITTING AROMATIC COMPONENT BY HEAT KT & G Corporation (KR) 2023-08-09 EP disclosed
EP-4215064-A1 NOVEL FLAVOR, FLAVOR COMPOSITION, AND PRODUCT INCLUDING SAME KT & G Corporation (KR) 2023-07-26 EP disclosed
EP-4215063-A1 NOVEL FLAVORING AGENT, FLAVORING AGENT COMPOSITION, AND PRODUCT COMPRISING SAME KT & G Corporation (KR) 2023-07-26 EP disclosed
EP-4215668-A1 WALLPAPER COMPOSITION AND WALLPAPER FROM WHICH FLAVOR INGREDIENT IS RELEASED BY HEAT KT&G Corporation (KR) 2023-07-26 EP disclosed
WO-2023090891-A1 WALLPAPER COMPOSITION AND WALLPAPER EMITTING AROMATIC COMPONENT BY HEAT 주식회사 케이티앤지 2023-05-25 WO disclosed
WO-2023090898-A1 SMOKING PRODUCT CONTAINING NOVEL FLAVORING AGENT 주식회사 케이티앤지 2023-05-25 WO disclosed
WO-2023090886-A1 NOVEL FLAVORING AGENT, FLAVORING AGENT COMPOSITION, AND PRODUCT COMPRISING SAME 주식회사 케이티앤지 2023-05-25 WO disclosed