SCHEMBL20168951

SCHEMBL20168951

CS(C)(C1C=Cc2ccccc21)C1CCc2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.40
PDPK1 O15530 1/20 0.38
IDO1 P14902 2/20 0.35
MAOA P21397 3/20 0.35
MAOB P27338 3/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
SIGMAR1 Q99720 3/20 0.33
CYP11B2 P19099 1/20 0.33
BCHE P06276 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
ACHE P22303 1/20 0.33
ADRA1A P35348 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
SCHEMBL20168950 0.81 HTR6 (0.51) HTR6PDPK1IDO1MAOAMAOB
SCHEMBL23686727 0.72 HTR6 (0.44) HTR6PDPK1IDO1MAOAMAOB
SCHEMBL16242806 0.71 HTR6 (0.57) HTR6PDPK1IDO1MAOAMAOB
SCHEMBL20962327 0.69 HTR6 (0.34) HTR6
SCHEMBL14393119 0.69 HTR2A (0.35) HTR6SIGMAR1ADRA2BADRA2CADRA1A
SCHEMBL22932183 0.69 BRD4 (0.36) HTR6SIGMAR1ADRA2BADRA2CADRA1A
SCHEMBL18676280 0.69 HTR6 (0.39) HTR6PDPK1IDO1SIGMAR1CYP11B2
SCHEMBL21370023 0.67 HTR6 (0.45) HTR6PDPK1IDO1MAOAMAOB
SCHEMBL21369982 0.66 HTR6 (0.44) HTR6PDPK1IDO1MAOAMAOB
SCHEMBL21302068 0.66 KDM1A (0.42) HTR6PDPK1MAOAMAOBSIGMAR1

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-9975972-B2 Ethylene-based polymer, polyethylene-based resin composition and use thereof, catalyst component for olefin polymerization, olefin polymerization catalyst containing the component, and method for producing ethylene-based polymer by using the catalyst JAPAN POLYETHYLENE CORPORATION (JP) 2018-05-22 US disclosed