SCHEMBL28699652

SCHEMBL28699652

CC=Cc1cccc(CCC)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
HDAC4 P56524 1/20 0.39
MEF2D Q14814 1/20 0.39
LTB4R Q15722 1/20 0.38
LTB4R2 Q9NPC1 1/20 0.38
SLC5A1 P13866 1/20 0.37
CNR2 P34972 2/20 0.37
CNR1 P21554 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
PLAU P00749 1/20 0.36
DRD2 P14416 2/20 0.36
DRD3 P35462 2/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
SIGMAR1 Q99720 2/20 0.36
KIF11 P52732 1/20 0.36
GRIN2D O15399 1/20 0.36
GRIN3B O60391 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
SCHEMBL30189129 1.00 CYP4F2 (0.41) CYP4F2CYP4A11HDAC4MEF2DLTB4R
SCHEMBL8434164 0.96 CYP4F2 (0.39) CYP4F2CYP4A11HDAC4MEF2DLTB4R
SCHEMBL25383248 0.86 MAOA (0.48) CYP4F2CYP4A11LTB4RLTB4R2
SCHEMBL28305258 0.86 LPL (0.51) HDAC4MEF2DLPLLIPG
SCHEMBL2920783 0.84 CNR1 (0.39) CYP4F2CYP4A11HDAC4MEF2DCNR2
SCHEMBL16167378 0.83 CYP4F2 (0.47) CYP4F2CYP4A11HDAC4MEF2DLTB4R
SCHEMBL16167373 0.83 CYP4F2 (0.47) CYP4F2CYP4A11HDAC4MEF2DLTB4R
SCHEMBL8434084 0.82 CYP4F2 (0.43) CYP4F2CYP4A11HDAC4MEF2DLTB4R
SCHEMBL5424539 0.82 CNR1 (0.41) CYP4F2CYP4A11HDAC4MEF2DCNR2
SCHEMBL27875964 0.81 CYP4F2 (0.46) CYP4F2CYP4A11HDAC4MEF2DLTB4R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117125710-A Monodisperse nitrogen doped polymer-based nano activated carbon sphere with controllable particle size and preparation method thereof 北京化工大学 2023-11-28 CN claimed
CN-113443625-A Preparation method of polystyrene resin-based spherical activated carbon 华东理工大学 2021-09-28 CN claimed
CN-117125710-A Monodisperse nitrogen doped polymer-based nano activated carbon sphere with controllable particle size and preparation method thereof 北京化工大学 2023-11-28 CN disclosed
CN-113443625-A Preparation method of polystyrene resin-based spherical activated carbon 华东理工大学 2021-09-28 CN disclosed