SCHEMBL5604407

SCHEMBL5604407

CC(C)=CCCC(C)CCOC(CC(C)CCC=C(C)C)OCCC(C)CCC=C(C)C

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.57
ALDH1A1 P00352 2/20 0.53
NFE2L2 Q16236 1/20 0.42
USP2 O75604 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TSHR P16473 1/20 0.37
GGPS1 O95749 2/20 0.35
FDPS P14324 2/20 0.35
EPHX2 P34913 1/20 0.34
SRC P12931 1/20 0.33
GLA P06280 1/20 0.32

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
SCHEMBL5604751 1.00 ALOX15 (0.57) ALOX15ALDH1A1NFE2L2USP2TDP1
SCHEMBL5604473 1.00 ALOX15 (0.57) ALOX15ALDH1A1NFE2L2USP2TDP1
SCHEMBL5604676 1.00 ALOX15 (0.57) ALOX15ALDH1A1NFE2L2USP2TDP1
SCHEMBL5604557 1.00 ALOX15 (0.57) ALOX15ALDH1A1NFE2L2USP2TDP1
SCHEMBL27200268 0.85 ALOX15 (0.65) ALOX15ALDH1A1NFE2L2USP2TDP1
SCHEMBL5604057 0.84 ALOX15 (0.56) ALOX15ALDH1A1NFE2L2USP2TDP1
SCHEMBL5604462 0.84 ALOX15 (0.56) ALOX15ALDH1A1NFE2L2USP2TDP1
SCHEMBL5604469 0.84 ALOX15 (0.56) ALOX15ALDH1A1NFE2L2USP2TDP1
SCHEMBL5604720 0.84 ALOX15 (0.56) ALOX15ALDH1A1NFE2L2USP2TDP1
SCHEMBL5604534 0.84 ALOX15 (0.56) ALOX15ALDH1A1NFE2L2USP2TDP1

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-B1 ACETALS AS INSECT REPELLANT AGENTS BENCSITS FRANZ (AT) 2007-04-18 EP claimed
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