SCHEMBL1892872

SCHEMBL1892872

CCC=CC(CCCCCCCC=CCCCC)OC(C)=O.CCCC/C=C\CCCCCCCCC/C=C\COC(C)=O

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.42
GALR3 O60755 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PDE4D Q08499 4/20 0.39
F7 P08709 1/20 0.37
F3 P13726 1/20 0.37
TRPV1 Q8NER1 1/20 0.36
USP2 O75604 1/20 0.36
LMNA P02545 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
RECQL P46063 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PRKCE Q02156 1/20 0.36
PRKCQ Q04759 1/20 0.36
PRKCD Q05655 1/20 0.36

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
SCHEMBL833101 0.92 GALR3 (0.44) PRKCAGALR3MEN1KMT2APDE4D
SCHEMBL6135354 0.92 GALR3 (0.44) PRKCAGALR3MEN1KMT2APDE4D
SCHEMBL830653 0.92 GALR3 (0.44) PRKCAGALR3MEN1KMT2APDE4D
SCHEMBL11411944 0.85 GALR3 (0.40) PRKCAGALR3MEN1KMT2APDE4D
SCHEMBL11411941 0.85 GALR3 (0.40) PRKCAGALR3MEN1KMT2APDE4D
SCHEMBL17633875 0.84 GALR3 (0.42) PRKCAGALR3MEN1KMT2APDE4D
SCHEMBL17633873 0.84 GALR3 (0.42) PRKCAGALR3MEN1KMT2APDE4D
SCHEMBL29259205 0.82 MEN1 (0.50) GALR3MEN1KMT2APDE4DCYP3A4
SCHEMBL10953596 0.82 ALDH1A1 (0.40) PRKCAGALR3PDE4D
SCHEMBL10953598 0.82 ALDH1A1 (0.40) PRKCAGALR3PDE4D

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
US-7943159-B1 Female sex pheromone of the dogwood borer (DWB), Synanthedon scitula, and attraction inhibitor (antagonist) THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 2011-05-17 US claimed