SCHEMBL8199304

SCHEMBL8199304

CCCCCCCCCCCC(=O)OCOC(=O)NC(=NC(=O)OC(C)(C)C)n1cccn1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 2/20 0.34
DGKA P23743 1/20 0.33
DNM1 Q05193 1/20 0.32
PAM P19021 2/20 0.31
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30
TSHR P16473 1/20 0.30
TPSAB1 Q15661 1/20 0.30
TPSD1 Q9BZJ3 1/20 0.30
TPSG1 Q9NRR2 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL8196578 0.99 NOS1 (0.34) NOS1DGKADNM1
SCHEMBL8194924 0.88
SCHEMBL8199616 0.85 PCSK9 (0.30)
SCHEMBL9012482 0.83 NOS1 (0.38) NOS1CNR2
SCHEMBL8121 0.80 RAB9A (0.32) NOS1
SCHEMBL13221 0.80 RAB9A (0.32) NOS1
SCHEMBL14135 0.80 RAB9A (0.32) NOS1
SCHEMBL4249589 0.80 NOS1 (0.36) NOS1
SCHEMBL8199752 0.80 ADRB2 (0.33) TSHR
SCHEMBL8196652 0.79 NOS1 (0.33) NOS1DGKADNM1PAM

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
WO-2000078723-A1 PROCESS FOR THE PREPARATION OF BUTOXYCARBONYLIMINO COMPOUNDS AND INTERMEDIATES THEREFOR GLAXO GROUP LIMITED (GB) 2000-12-28 WO disclosed