SCHEMBL4909264

SCHEMBL4909264

CCOC(=O)C1CCCCC2CCC1C2

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
EPHX2 P34913 1/20 0.41
ALDH1A1 P00352 3/20 0.39
HSD11B1 P28845 1/20 0.38
CYP3A4 P08684 2/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
GRM1 Q13255 2/20 0.36
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
PPM1B O75688 1/20 0.35
PTPN1 P18031 1/20 0.35
PPP1CC P36873 1/20 0.35
MAPT P10636 1/20 0.34

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
SCHEMBL19229939 0.93 EPHX2 (0.45) MEN1KMT2AEPHX2ALDH1A1HSD11B1
SCHEMBL8718164 0.93 EPHX2 (0.45) MEN1KMT2AEPHX2ALDH1A1HSD11B1
SCHEMBL1862636 0.84 POLB (0.49) MEN1KMT2AEPHX2ALDH1A1HSD11B1
SCHEMBL31178057 0.84 POLB (0.49) MEN1KMT2AEPHX2ALDH1A1HSD11B1
Hydrochloric Acid SCHEMBL4279690 0.83 POLB (0.47) MEN1KMT2AEPHX2ALDH1A1HSD11B1
SCHEMBL23986657 0.82 EPHX2 (0.42) MEN1KMT2AEPHX2ALDH1A1HSD11B1
SCHEMBL22828634 0.82 EPHX2 (0.42) MEN1KMT2AEPHX2ALDH1A1HSD11B1
SCHEMBL16728406 0.82 EPHX2 (0.42) MEN1KMT2AEPHX2ALDH1A1HSD11B1
SCHEMBL24197804 0.82 EPHX2 (0.42) MEN1KMT2AEPHX2ALDH1A1HSD11B1
Hydrochloric Acid SCHEMBL29928929 0.81 EPHX2 (0.41) MEN1KMT2AEPHX2ALDH1A1HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080108542-A1 Ingredients; hydrocarbons having from 8 to 13 carbon atoms, ethers, aldehydes, esters, nitriles, alcohols, ketones; at least three of the groups must each comprise materials amounting to at least 5% by weight of the perfume composition QUEST INTERNATIONAL SERVICES, B.V. (NL) 2008-05-08 US claimed
EP-1855761-A1 PERFUME COMPOSITIONS Quest International Services B.V. (NL) 2007-11-21 EP claimed
WO-2006095200-A1 PERFUME COMPOSITIONS QUEST INTERNATIONAL SERVICES B.V. (NL) 2006-09-14 WO claimed
US-20080108542-A1 Ingredients; hydrocarbons having from 8 to 13 carbon atoms, ethers, aldehydes, esters, nitriles, alcohols, ketones; at least three of the groups must each comprise materials amounting to at least 5% by weight of the perfume composition QUEST INTERNATIONAL SERVICES, B.V. (NL) 2008-05-08 US disclosed