SCHEMBL5077413

SCHEMBL5077413

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

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
ADRB3 P13945 1/20 0.34
MAPT P10636 3/20 0.33
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
ALDH1A1 P00352 4/20 0.31
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
RECQL P46063 1/20 0.31
LIPE Q05469 1/20 0.30
THRA P10827 1/20 0.30
THRB P10828 1/20 0.30
TSHR P16473 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 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
SCHEMBL2941520 1.00 ADRB2 (0.34) ADRB2ADRB1ADRB3MAPTNPC1
SCHEMBL5074719 0.87 ADRB2 (0.35) ADRB2ADRB1ADRB3MAPTNPC1
SCHEMBL2943916 0.87 ADRB2 (0.35) ADRB2ADRB1ADRB3MAPTNPC1
SCHEMBL2941522 0.82
SCHEMBL2995189 0.77 ALDH1A1 (0.32) MAPTALDH1A1TSHR
SCHEMBL8222724 0.74 MAPT (0.35) ADRB2ADRB1ADRB3MAPTALDH1A1
SCHEMBL18228935 0.74 MAPT (0.35) ADRB2ADRB1ADRB3MAPTALDH1A1
SCHEMBL8219271 0.74 MAPT (0.35) ADRB2ADRB1ADRB3MAPTALDH1A1
SCHEMBL692443 0.74 ADRB2 (0.33) ADRB2ADRB1ADRB3MAPTALDH1A1
SCHEMBL18228936 0.74 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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