SCHEMBL20168945

SCHEMBL20168945

c1ccc2c(c1)CCC2OC1CCCC1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.59
PDPK1 O15530 1/20 0.42
SLC18A3 Q16572 1/20 0.41
PRCP P42785 1/20 0.40
GPR84 Q9NQS5 1/20 0.40
CHRNA7 P36544 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
HIF1A Q16665 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 1/20 0.40

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
SCHEMBL376248 0.86 IDO1 (0.70) IDO1PDPK1GPR84
SCHEMBL447419 0.79 IDO1 (0.66) IDO1PDPK1GPR84
SCHEMBL15330041 0.79 IDO1 (0.72) IDO1GPR84CYP2D6
SCHEMBL6994885 0.77 IDO1 (0.50) IDO1PDPK1SLC18A3PRCPGPR84
SCHEMBL756933 0.76 IDO1 (0.61) IDO1PDPK1GPR84
SCHEMBL9391018 0.75 IDO1 (0.66) IDO1PDPK1SLC18A3GPR84
SCHEMBL14209228 0.75 IDO1 (0.66) IDO1PDPK1GPR84
SCHEMBL21300294 0.75 IDO1 (0.66) IDO1PDPK1GPR84
SCHEMBL6419941 0.75 IDO1 (1.00) IDO1PDPK1GPR84
SCHEMBL16392447 0.75 IDO1 (0.66) IDO1PDPK1GPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10633471-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) 2020-04-28 US disclosed
US-20200031965-A1 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) 2020-01-30 US disclosed
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