SCHEMBL3723458

SCHEMBL3723458

CCCCCCC(C)CNC(=O)O

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.56
LCK P06239 1/20 0.50
PPARD Q03181 1/20 0.50
ZDHHC20 Q5W0Z9 1/20 0.50
ZDHHC2 Q9UIJ5 1/20 0.50
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48
GPR84 Q9NQS5 7/20 0.47
FFAR1 O14842 2/20 0.47
MAPT P10636 1/20 0.46
EPHX1 P07099 2/20 0.44
FFAR4 Q5NUL3 1/20 0.43
FAAH O00519 1/20 0.42
CA1 P00915 1/20 0.42

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
SCHEMBL16360403 0.92 CYP2D6 (0.52) ACE2LCKPPARDZDHHC20ZDHHC2
SCHEMBL11077957 0.92 CYP2D6 (0.52) ACE2LCKPPARDZDHHC20ZDHHC2
SCHEMBL11397604 0.85 ACE2 (0.52) ACE2LCKPPARDZDHHC20ZDHHC2
SCHEMBL6722464 0.84 CYP2D6 (0.56) ACE2LCKPPARDZDHHC20ZDHHC2
SCHEMBL27634084 0.83 ACE2 (0.50) ACE2LCKPPARDZDHHC20ZDHHC2
SCHEMBL19519901 0.82 ACE2 (0.48) ACE2LCKPPARDZDHHC20ZDHHC2
SCHEMBL19520052 0.82 ACE2 (0.48) ACE2LCKPPARDZDHHC20ZDHHC2
SCHEMBL9555606 0.81 ACE2 (0.47) ACE2LCKPPARDZDHHC20ZDHHC2
SCHEMBL9555604 0.81 ACE2 (0.47) ACE2LCKPPARDZDHHC20ZDHHC2
SCHEMBL21220026 0.80 ACE2 (0.47) ACE2LCKPPARDZDHHC20ZDHHC2

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