SCHEMBL28249306

SCHEMBL28249306

C=CCCCCCCCCC.CC(C)=CCCC(C)CCCC(C)C=O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.42
ALOX15 P16050 3/20 0.41
ALDH1A1 P00352 3/20 0.41
USP2 O75604 2/20 0.36
ACE2 Q9BYF1 1/20 0.35
PLA2G2C Q5R387 1/20 0.34
CYP3A4 P08684 2/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
Decanal SCHEMBL8208889 0.86 TSHR (0.44) TSHRALOX15ALDH1A1USP2PLA2G2C
SCHEMBL585675 0.85 ALDH1A1 (0.42) TSHRALOX15ALDH1A1USP2
SCHEMBL585673 0.85 ALDH1A1 (0.42) TSHRALOX15ALDH1A1USP2
SCHEMBL229925 0.84 ALOX15 (0.55) TSHRALOX15ALDH1A1USP2TDP1
SCHEMBL5135290 0.84 TRPV1 (0.40) TSHRALOX15ALDH1A1CYP3A4HPGD
SCHEMBL5135286 0.84 TRPV1 (0.40) TSHRALOX15ALDH1A1CYP3A4HPGD
SCHEMBL7794185 0.80 ALOX15 (0.40) TSHRALOX15ALDH1A1USP2CYP3A4
Citronellal SCHEMBL21517815 0.80 ALOX15 (0.40) TSHRALOX15ALDH1A1USP2ACE2
SCHEMBL11041920 0.78 ALOX15 (0.59) TSHRALOX15ALDH1A1USP2ACE2
SCHEMBL2840564 0.78 ALOX15 (0.59) TSHRALOX15ALDH1A1USP2ACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108601958-A Pro-perfume compositions 爱客多有限公司 2018-09-28 CN claimed
CN-108601958-A Pro-perfume compositions 爱客多有限公司 2018-09-28 CN disclosed