SCHEMBL6254141

SCHEMBL6254141

CC(C)=CCC[C@H](C)CC1OCC(O)CO1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.46
ALDH1A1 P00352 1/20 0.46
TDP1 Q9NUW8 1/20 0.39
GLA P06280 2/20 0.36
TSHR P16473 1/20 0.35
NFE2L2 Q16236 1/20 0.35
USP2 O75604 1/20 0.33
HPGD P15428 1/20 0.33
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.32
HTT P42858 1/20 0.32
GGPS1 O95749 2/20 0.31
FDPS P14324 2/20 0.31
PTPN1 P18031 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
SCHEMBL6252281 1.00 ALOX15 (0.46) ALOX15ALDH1A1TDP1GLATSHR
SCHEMBL6252287 1.00 ALOX15 (0.46) ALOX15ALDH1A1TDP1GLATSHR
SCHEMBL6251037 0.88 ALOX15 (0.50) ALOX15ALDH1A1TDP1GLATSHR
SCHEMBL15457612 0.88 ALOX15 (0.50) ALOX15ALDH1A1TDP1GLATSHR
SCHEMBL14548161 0.88 ALOX15 (0.50) ALOX15ALDH1A1TDP1GLATSHR
SCHEMBL3759620 0.81 ALOX15 (0.50) ALOX15ALDH1A1TDP1GLATSHR
SCHEMBL27967930 0.80 ALOX15 (0.53) ALOX15ALDH1A1TDP1GLATSHR
SCHEMBL27620620 0.80 ALOX15 (0.44) ALOX15ALDH1A1TDP1GLATSHR
SCHEMBL27620622 0.80 ALOX15 (0.44) ALOX15ALDH1A1TDP1GLATSHR
SCHEMBL6250124 0.79 ALOX15 (0.48) ALOX15ALDH1A1TDP1GLATSHR

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
EP-1567013-A1 ACETALS AS INSECT REPELLANT AGENTS Bencsits, Franz (AT) 2005-08-31 EP claimed
WO-2004039158-A1 ACETALS AS INSECT REPELLANT AGENTS BENCSITS FRANZ (AT) 2004-05-13 WO claimed
EP-1567013-B1 ACETALS AS INSECT REPELLANT AGENTS BENCSITS FRANZ (AT) 2007-04-18 EP disclosed