SCHEMBL28217424

SCHEMBL28217424

CC(C)(C)CC1(COc2ccccc2)OCCO1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.40
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ADRA1D P25100 2/20 0.36
TDP1 Q9NUW8 1/20 0.35
KCNA3 P22001 1/20 0.34
ADRA1A P35348 3/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
LTA4H P09960 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ADRA1B P35368 1/20 0.33
CYP2D6 P10635 1/20 0.33
RIPK1 Q13546 1/20 0.33
LMNA P02545 1/20 0.33
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33

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
SCHEMBL28008410 0.81 LTA4H (0.40) HTR1AADRA1DTDP1KCNA3MAOA
SCHEMBL28217425 0.79 LTA4H (0.40) HTR1AADRA1DTDP1KCNA3MAOA
SCHEMBL28217420 0.76 LTA4H (0.45) HTR1AKCNA3MAOALTA4HSMN1; SMN2
SCHEMBL9403915 0.76 LTA4H (0.51) HTR1ALTA4HSMN1; SMN2
Fluoride SCHEMBL28228786 0.75 HTR1A (0.36) HTR1AADRA1DTDP1KCNA3LTA4H
SCHEMBL28217881 0.75 HRH3 (0.38) HTR1AADRA1DTDP1MAOAMAOB
SCHEMBL28217422 0.75 LTA4H (0.45) HTR1AKCNA3MAOALTA4HSMN1; SMN2
SCHEMBL13897218 0.74 HTR1A (0.41) HTR1AADRA1DTDP1KCNA3MAOA
SCHEMBL28217421 0.73 HTR1A (0.43) HTR1AADRA1DTDP1KCNA3ADRA1A
SCHEMBL15119949 0.70 L3MBTL1 (0.47) HTR1AMEN1KMT2ASMN1; SMN2

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
CN-108124874-A A kind of bi-component insecticides and its application in pest control 上海生农生化制品股份有限公司 2018-06-08 CN disclosed
CN-108077265-A A kind of difenolan derivative pesticide composition and its application in pest control 上海生农生化制品股份有限公司 2018-05-29 CN disclosed