SCHEMBL18878241

SCHEMBL18878241

CC1=CC(C)C(C(C)C)CC1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.39
ACE2 Q9BYF1 1/20 0.39
PTPN1 P18031 1/20 0.38
HIF1A Q16665 3/20 0.34
EPAS1 Q99814 1/20 0.34
MET P08581 1/20 0.31
CNR1 P21554 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
Methyl Alcohol SCHEMBL11309408 0.96 OPRM1 (0.40) OPRM1ACE2PTPN1HIF1AEPAS1
SCHEMBL16760817 0.83 HIF1A (0.35) OPRM1ACE2PTPN1HIF1AEPAS1
SCHEMBL11302812 0.80 HIF1A (0.34) OPRM1ACE2HIF1AEPAS1CNR1
SCHEMBL8445962 0.79 PTPN1 (0.31) OPRM1ACE2PTPN1HIF1AEPAS1
SCHEMBL14780508 0.78
SCHEMBL14785086 0.78
SCHEMBL14784937 0.78
SCHEMBL14785084 0.78
SCHEMBL14784936 0.78
SCHEMBL23041068 0.77 ALDH1A1 (0.35) OPRM1ACE2HIF1AEPAS1CNR1

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 5 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
US-9657030-B2 Transition metal-catalyzed processes for the preparation of N-allyl compounds and use thereof RHODES TECHNOLOGIES (US) 2017-05-23 US disclosed