SCHEMBL20298281

SCHEMBL20298281

C=C(C)C(=C)CC(=O)OC(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.42
LMNA P02545 2/20 0.39
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
MAPT P10636 2/20 0.33
NLRP3 Q96P20 1/20 0.33
CYP2D6 P10635 1/20 0.33
KDM4E B2RXH2 1/20 0.31
HSD17B10 Q99714 1/20 0.31
HTT P42858 1/20 0.31
PPARG P37231 1/20 0.31
NCOA2 Q15596 1/20 0.31
NCOA1 Q15788 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
NCOA3 Q9Y6Q9 1/20 0.31
MGAM O43451 2/20 0.31
GAA P10253 2/20 0.31
SI P14410 2/20 0.31
MGAM2 Q2M2H8 2/20 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
SCHEMBL229792 0.83 TSHR (0.50) TSHRLMNAALDH1A1SMN1; SMN2MAPT
SCHEMBL481425 0.83 LMNA (0.39) TSHRLMNAALDH1A1SMN1; SMN2MAPT
SCHEMBL7083288 0.83 TSHR (0.41) TSHRLMNAALDH1A1MAPTNLRP3
SCHEMBL2608300 0.82 TSHR (0.46) TSHRLMNAALDH1A1SMN1; SMN2MAPT
SCHEMBL28727541 0.81 LMNA (0.48) TSHRLMNAALDH1A1SMN1; SMN2MAPT
SCHEMBL28875912 0.81 LMNA (0.48) TSHRLMNAALDH1A1SMN1; SMN2MAPT
SCHEMBL18152012 0.81 LMNA (0.48) TSHRLMNAALDH1A1SMN1; SMN2MAPT
SCHEMBL9241906 0.78 LMNA (0.36) TSHRLMNAMAPTNLRP3CYP2D6
Butane SCHEMBL6048652 0.77 LMNA (0.56) TSHRLMNAALDH1A1MAPTCYP2D6
Alcohol SCHEMBL28450884 0.77 LMNA (0.50) TSHRLMNAALDH1A1SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020149734-A2 NEW FORMULATION COMPOSITION FOR INSECTICIDES UNIVERSITI PUTRA MALAYSIA (MY) 2020-07-23 WO claimed
WO-2018117810-A1 NEW COMPOSITION FOR INSECTICIDES UNIVERSITI PUTRA MALAYSIA (MY) 2018-06-28 WO claimed
WO-2020149734-A3 NEW FORMULATION COMPOSITION FOR INSECTICIDES UNIVERSITI PUTRA MALAYSIA (MY) 2020-09-10 WO disclosed
WO-2020149734-A2 NEW FORMULATION COMPOSITION FOR INSECTICIDES UNIVERSITI PUTRA MALAYSIA (MY) 2020-07-23 WO disclosed
WO-2020149734-A2 NEW FORMULATION COMPOSITION FOR INSECTICIDES UNIVERSITI PUTRA MALAYSIA (MY) 2020-07-23 WO disclosed
WO-2018117810-A1 NEW COMPOSITION FOR INSECTICIDES UNIVERSITI PUTRA MALAYSIA (MY) 2018-06-28 WO disclosed
WO-2018117810-A1 NEW COMPOSITION FOR INSECTICIDES UNIVERSITI PUTRA MALAYSIA (MY) 2018-06-28 WO disclosed