SCHEMBL5604602

SCHEMBL5604602

C=CC(C)(CCC=C(C)C)OC(CC(C)CCC=C(C)C)OC(C)(C=C)CCC=C(C)C

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 6/20 0.42
ALDH1A1 P00352 1/20 0.40
HIF1A Q16665 4/20 0.35
EPAS1 Q99814 4/20 0.35
TDP1 Q9NUW8 1/20 0.33
MEN1 O00255 1/20 0.33
CYP3A4 P08684 1/20 0.33
KMT2A Q03164 1/20 0.33
TSHR P16473 1/20 0.31
GGPS1 O95749 2/20 0.30
FDPS P14324 2/20 0.30
USP2 O75604 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
SCHEMBL5604842 1.00 ALOX15 (0.42) ALOX15ALDH1A1HIF1AEPAS1TDP1
SCHEMBL5604592 1.00 ALOX15 (0.42) ALOX15ALDH1A1HIF1AEPAS1TDP1
SCHEMBL5604542 0.87 ALOX15 (0.41) ALOX15ALDH1A1HIF1AEPAS1MEN1
SCHEMBL5604410 0.87 ALOX15 (0.41) ALOX15ALDH1A1HIF1AEPAS1MEN1
SCHEMBL14548112 0.87 ALOX15 (0.41) ALOX15ALDH1A1HIF1AEPAS1MEN1
SCHEMBL5605026 0.87 ALOX15 (0.41) ALOX15ALDH1A1HIF1AEPAS1MEN1
SCHEMBL626649 0.74 ALOX15 (0.45) ALOX15HIF1AEPAS1
SCHEMBL29052095 0.73 ALOX15 (0.47) ALOX15ALDH1A1HIF1AEPAS1TSHR
SCHEMBL988359 0.72 ALOX15 (0.59) ALOX15HIF1AEPAS1MEN1CYP3A4
SCHEMBL454435 0.71 ALOX15 (0.57) ALOX15HIF1AEPAS1MEN1CYP3A4

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