SCHEMBL3723461

SCHEMBL3723461

CCCCCCC(C)N(C)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.48
GPR84 Q9NQS5 7/20 0.48
FFAR1 O14842 2/20 0.48
MAPT P10636 1/20 0.47
LCK P06239 1/20 0.47
PPARD Q03181 1/20 0.47
ZDHHC20 Q5W0Z9 1/20 0.47
ZDHHC2 Q9UIJ5 1/20 0.47
GRIK1 P39086 1/20 0.44
GRIK2 Q13002 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44

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
SCHEMBL19233450 0.84 ACE2 (0.44) ACE2GPR84FFAR1MAPTLCK
SCHEMBL11775378 0.83 CHRM1 (0.42) ACE2GRIK1GRIK2
SCHEMBL28672919 0.82 GPR84 (0.52) ACE2GPR84FFAR1MAPTLCK
SCHEMBL28878400 0.81 FFAR4 (0.50) GPR84FFAR1FFAR4
Acetic Acid SCHEMBL31579080 0.80 CHRNB2 (0.50) ACE2GPR84FFAR1MAPTLCK
Oxalic Acid SCHEMBL11335719 0.80 CHRNB2 (0.50) ACE2GPR84FFAR1MAPTLCK
Oxalic Acid SCHEMBL11335711 0.80 CHRNB2 (0.50) ACE2GPR84FFAR1MAPTLCK
SCHEMBL9422722 0.79 FAAH (0.44) ACE2GPR84FFAR1MAPTLCK
SCHEMBL11051781 0.78 ACE2 (0.47) ACE2GPR84FFAR1MAPTLCK
SCHEMBL8691267 0.78 GPR84 (0.48) ACE2GPR84FFAR1MAPTLCK

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
EP-2393809-A2 DERIVATIVES OF AZASPIRANYL-ALKYLCARBAMATES OF 5-MEMBER HETEROCYCLIC COMPOUNDS, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2011-12-14 EP disclosed
WO-2010089510-A2 DERIVATIVES OF AZASPIRANYL-ALKYLCARBAMATES OF 5-MEMBER HETEROCYCLIC COMPOUNDS, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-08-12 WO disclosed