SCHEMBL2943916

SCHEMBL2943916

CC(C)C=CC(C)OC(C)(C)COC(=O)C1CC1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35
MAPT P10636 3/20 0.34
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
ALDH1A1 P00352 6/20 0.31
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
RECQL P46063 2/20 0.31
THRA P10827 1/20 0.31
THRB P10828 1/20 0.31
LIPE Q05469 1/20 0.31
TSHR P16473 1/20 0.31
USP2 O75604 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ATM Q13315 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
SCHEMBL5074719 1.00 ADRB2 (0.35) ADRB2ADRB1ADRB3MAPTNPC1
SCHEMBL2941520 0.87 ADRB2 (0.34) ADRB2ADRB1ADRB3MAPTNPC1
SCHEMBL5077413 0.87 ADRB2 (0.34) ADRB2ADRB1ADRB3MAPTNPC1
SCHEMBL2942493 0.81 NAAA (0.30)
SCHEMBL8219271 0.78 MAPT (0.35) ADRB2ADRB1ADRB3MAPTALDH1A1
SCHEMBL8222724 0.78 MAPT (0.35) ADRB2ADRB1ADRB3MAPTALDH1A1
SCHEMBL692443 0.78 ADRB2 (0.33) ADRB2ADRB1ADRB3MAPTALDH1A1
SCHEMBL18228935 0.78 MAPT (0.35) ADRB2ADRB1ADRB3MAPTALDH1A1
SCHEMBL31412820 0.78 ADRB2 (0.33) ADRB2ADRB1ADRB3MAPTALDH1A1
SCHEMBL18228936 0.78 MAPT (0.35) ADRB2ADRB1ADRB3MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4518957-B2 2010-08-04 JP claimed
US-7384906-B2 Aliphatic compounds as fragrants with musk characteristics GIVANDAN SA (CH) 2008-06-10 US claimed
EP-1565420-B1 ALIPHATIC COMPOUNDS AS FRAGRANTS WITH MUSK CHARACTERISTICS GIVAUDAN SA (CH) 2006-10-18 EP claimed
US-20060052277-A1 Aliphatic compounds as fragrants with musk characteristics GIVAUDAN SA (CH) 2006-03-09 US claimed
EP-1565420-A1 ALIPHATIC COMPOUNDS AS FRAGRANTS WITH MUSK CHARACTERISTICS Givaudan SA (CH) 2005-08-24 EP claimed
WO-2004050595-A1 ALIPHATIC COMPOUNDS AS FRAGRANTS WITH MUSK CHARACTERISTICS GIVAUDAN SA (CH) 2004-06-17 WO claimed
US-7384906-B2 Aliphatic compounds as fragrants with musk characteristics GIVANDAN SA (CH) 2008-06-10 US disclosed
EP-1565420-B1 ALIPHATIC COMPOUNDS AS FRAGRANTS WITH MUSK CHARACTERISTICS GIVAUDAN SA (CH) 2006-10-18 EP disclosed
US-20060052277-A1 Aliphatic compounds as fragrants with musk characteristics GIVAUDAN SA (CH) 2006-03-09 US disclosed
EP-1565420-A1 ALIPHATIC COMPOUNDS AS FRAGRANTS WITH MUSK CHARACTERISTICS Givaudan SA (CH) 2005-08-24 EP disclosed
WO-2004050595-A1 ALIPHATIC COMPOUNDS AS FRAGRANTS WITH MUSK CHARACTERISTICS GIVAUDAN SA (CH) 2004-06-17 WO disclosed