SCHEMBL8007113

SCHEMBL8007113

O=C(O)OCCC1CCC=CCCC1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 3/20 0.35
EPHX1 P07099 1/20 0.33
CHRM4 P08173 5/20 0.33
CHRM2 P08172 4/20 0.33
CHRM5 P08912 4/20 0.33
CHRM1 P11229 4/20 0.33
CHRM3 P20309 4/20 0.33
TDP1 Q9NUW8 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.31
LMNA P02545 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 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
SCHEMBL8007105 1.00 KLK7 (0.35) KLK7EPHX1CHRM4CHRM2CHRM5
SCHEMBL8007107 0.88 EPHX1 (0.34) KLK7EPHX1CHRM4CHRM2CHRM5
SCHEMBL8395658 0.83 EPHX1 (0.43) KLK7EPHX1CHRM4CHRM2CHRM5
SCHEMBL8394724 0.83 EPHX1 (0.40) KLK7EPHX1CHRM4CHRM2CHRM5
SCHEMBL1472866 0.82 LMNA (0.43) KLK7TDP1KDM4ELMNA
SCHEMBL3744195 0.82 LMNA (0.43) KLK7TDP1KDM4ELMNA
SCHEMBL8391122 0.81 EPHX1 (0.46) EPHX1CHRM4CHRM2CHRM5CHRM1
SCHEMBL8391420 0.81 EPHX1 (0.46) EPHX1CHRM4CHRM2CHRM5CHRM1
SCHEMBL8393822 0.79
SCHEMBL28447126 0.73 ESR2 (0.42) KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0994177-A2 Multifunctional and/or multi-aroma imparting, multisectional, multiwick candles; kits for preparing same; processes for preparing same and processes for using same INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2000-04-19 EP disclosed