SCHEMBL6869259

SCHEMBL6869259

CCCC(=O)OCC(=O)OCCC1CCCC(C)(C)C1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPT P10636 1/20 0.33
ATM Q13315 1/20 0.33
TDP1 Q9NUW8 5/20 0.33
L3MBTL1 Q9Y468 5/20 0.33
ALDH1A1 P00352 4/20 0.33
HPGD P15428 2/20 0.33
KLK7 P49862 2/20 0.31
EPHX2 P34913 2/20 0.31
DGKA P23743 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
SCHEMBL6870122 0.90 NAAA (0.32)
SCHEMBL17629469 0.90 NAAA (0.32)
SCHEMBL30013264 0.90 NAAA (0.32)
SCHEMBL5558548 0.86 ALDH1A1 (0.31) MAPTL3MBTL1ALDH1A1HPGD
SCHEMBL25341709 0.82 NAAA (0.34) MEN1KMT2AMAPTATM
SCHEMBL6872578 0.82 FKBP1A (0.32) TDP1
SCHEMBL26625966 0.81 NAAA (0.33)
SCHEMBL8089614 0.81 LMNA (0.39) EPHX2
SCHEMBL233612 0.80 MGAM (0.42) TDP1ALDH1A1EPHX2
SCHEMBL20168559 0.80 MGAM (0.42) TDP1ALDH1A1EPHX2

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-RE38659-E1 Esters with musky odor and their use in perfumery FIRMENICH SA (CH) 2004-11-23 US claimed
EP-1047660-B1 ESTERS WITH MUSKY ODOR AND THEIR USE IN PERFUMERY FIRMENICH & CIE (CH) 2003-01-29 EP claimed
US-6384269-B1 SUCH AS 1-(3,3-DIMETHYL-1-CYCLOHEXYL) ETHOXYCARBONYL) METHYL PROPANATE, FOR USE IN SOAPS, BATH AND SHOWER GELS, SHAMPOOS, DEODORANTS, ANTIPERSPIRANTS, AIR FRESHENERS AND DETERGENTS FIRMENICH SA (CH) 2002-05-07 US claimed