SCHEMBL9252059

SCHEMBL9252059

CCOC(=O)/C(F)=C/CP(=O)(OCC)OCC

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.38
PPARD Q03181 1/20 0.37
NPSR1 Q6W5P4 2/20 0.35
GLO1 Q04760 1/20 0.35
TP53 P04637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MAPT P10636 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
LMNA P02545 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
ALDH1A1 P00352 4/20 0.32
CYP2D6 P10635 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HTT P42858 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL9617956 0.82 GABRR1 (0.41) TSHRPPARDTP53TDP1MAPT
SCHEMBL10333808 0.82 GABRR1 (0.41) TSHRPPARDTP53TDP1MAPT
SCHEMBL9617952 0.82 GABRR1 (0.41) TSHRPPARDTP53TDP1MAPT
SCHEMBL5873561 0.81 GLO1 (0.40) TSHRPPARDNPSR1GLO1MAPT
SCHEMBL9653714 0.81 GLO1 (0.40) TSHRPPARDNPSR1GLO1MAPT
SCHEMBL8576108 0.81 GLO1 (0.40) TSHRPPARDNPSR1GLO1MAPT
SCHEMBL27499186 0.75 NPSR1 (0.43) TSHRNPSR1GLO1MAPTMEN1
SCHEMBL30150880 0.74 NPSR1 (0.42) TSHRNPSR1GLO1MAPTMEN1
SCHEMBL9256581 0.72 ALDH1A1 (0.41) TSHRNPSR1GLO1MAPTMEN1
SCHEMBL13429276 0.72 NPSR1 (0.41) TSHRNPSR1GLO1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5459149-A Penta-2,4-dienamides and use as pesticides ROUSSEL UCLAF (FR) 1995-10-17 US disclosed
US-5270343-A Penta-2,4-dienamides and use as pesticides ROUSSEL UCLAF (FR) 1993-12-14 US disclosed