SCHEMBL7540729

SCHEMBL7540729

CCOC(C)(C)CCCC(C)CCOc1ccc(C)nc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 4/20 0.33
CHRNB2 P17787 2/20 0.33
CHRNA4 P43681 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TP53 P04637 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31
RAB9A P51151 1/20 0.31
CHRNB1 P11230 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNB3 Q05901 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
SCHEMBL11547888 0.84 POLB (0.41) KMT2AMAPTMEN1TDP1KDM4E
SCHEMBL7536706 0.84 CHRNB2 (0.46) KMT2ACHRNB2CHRNA4
SCHEMBL11546267 0.81 MEN1 (0.41) KMT2AMEN1TDP1KDM4ETP53
SCHEMBL11553386 0.81 HRH3 (0.40) KMT2AMEN1KDM4EHSD17B10SMN1; SMN2
SCHEMBL11553217 0.81 LMNA (0.40) MAPTHPGDHTTSMN1; SMN2
SCHEMBL11552460 0.79 MEN1 (0.52) KMT2AMAPTMEN1TDP1TP53
SCHEMBL11548607 0.79 MAPT (0.38) KMT2AMAPTMEN1TDP1KDM4E
SCHEMBL11714406 0.79 FDPS (0.35) KMT2AMEN1TDP1TP53SMN1; SMN2
SCHEMBL11549746 0.79 ALDH1A1 (0.41) MAPTMEN1KDM4EHPGDHTT
SCHEMBL11550325 0.79 PPARA (0.44) CHRNB2CHRNA4CHRNB4CHRNA3

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
EP-1204413-A2 CONTROL OF CRUSTACEAN INFESTATION OF AQUATIC ANIMALS Bioparken AS (NO) 2002-05-15 EP disclosed
EP-1204320-A2 NOVEL JUVENILE HORMONE ANALOGUES AND THEIR USE AS ANTIFOULING AGENTS Bioparken AS (NO) 2002-05-15 EP disclosed
WO-2001007047-A2 CONTROL OF CRUSTACEAN INFESTATION OF AQUATIC ANIMALS BIOPARKEN AS (NO) 2001-02-01 WO disclosed
WO-2001006853-A2 NOVEL JUVENILE HORMONE ANALOGUES AND THEIR USE AS ANTIFOULING AGENTS BIOPARKEN AS (NO) 2001-02-01 WO disclosed