SCHEMBL21369982

SCHEMBL21369982

C/C=C/S(C)(C1CCc2ccccc21)C1CCc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.44
PDPK1 O15530 1/20 0.42
IDO1 P14902 2/20 0.39
SIGMAR1 Q99720 3/20 0.38
MAOA P21397 3/20 0.38
MAOB P27338 3/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CYP11B2 P19099 1/20 0.37
BCHE P06276 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
ACHE P22303 1/20 0.36
ADRA1A P35348 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
SCHEMBL21370023 0.81 HTR6 (0.45) HTR6PDPK1IDO1MAOAMAOB
SCHEMBL20168950 0.78 HTR6 (0.51) HTR6PDPK1IDO1SIGMAR1MAOA
SCHEMBL16242806 0.75 HTR6 (0.57) HTR6PDPK1IDO1MAOAMAOB
SCHEMBL23686727 0.70 HTR6 (0.44) HTR6PDPK1IDO1SIGMAR1MAOA
SCHEMBL11631174 0.68 PDPK1 (0.47) HTR6PDPK1IDO1SIGMAR1MAOA
SCHEMBL2026702 0.68 HTR6 (0.57) HTR6PDPK1IDO1MAOAMAOB
SCHEMBL22402756 0.68 IDO1 (0.49) HTR6PDPK1IDO1ADRA1A
SCHEMBL11631168 0.68 PDPK1 (0.47) HTR6PDPK1IDO1SIGMAR1MAOA
SCHEMBL2319101 0.68 HTR6 (0.57) HTR6PDPK1IDO1MAOAMAOB
SCHEMBL731798 0.68 HTR6 (0.61) HTR6PDPK1IDO1MAOAMAOB

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-10865258-B2 Mixed catalyst systems containing bridged metallocenes with a pendant group 13 element, processes for making a polymer product using same, and products made from same EXXONMOBIL CHEMICAL PATENTS INC. (US) 2020-12-15 US disclosed
US-20190284312-A1 Mixed Catalyst Systems Containing Bridged Metallocenes with a Pendant Group 13 Element, Processes for Making a Polymer Product Using Same, and Products Made from Same EXXONMOBIL CHEMICAL PATENTS INC. 2019-09-19 US disclosed