SCHEMBL20521900

SCHEMBL20521900

CCCCCCCCCCCCN(C(=O)CN)C(C)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.43
ACE2 Q9BYF1 1/20 0.39
GPR84 Q9NQS5 5/20 0.38
FFAR1 O14842 1/20 0.38
PPARD Q03181 4/20 0.37
MAPT P10636 1/20 0.37
LCK P06239 1/20 0.37
ZDHHC20 Q5W0Z9 1/20 0.37
ZDHHC2 Q9UIJ5 1/20 0.37
GRIK1 P39086 1/20 0.36
GRIK2 Q13002 1/20 0.36
KDM5A P29375 3/20 0.36
PHF8 Q9UPP1 3/20 0.36
KDM4C Q9H3R0 2/20 0.36
NPC1 O15118 1/20 0.35
JAK2 O60674 1/20 0.35
RAB9A P51151 1/20 0.35
PAX8 Q06710 1/20 0.35
FAAH O00519 1/20 0.35
PPARG P37231 3/20 0.34

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
SCHEMBL29211207 0.85 EPHX2 (0.58) EPHX2GPR84FFAR1PPARDKDM5A
SCHEMBL10884609 0.85 EPHX2 (0.58) EPHX2GPR84FFAR1PPARDKDM5A
SCHEMBL9151091 0.81 EPHX2 (0.43) EPHX2ACE2GPR84FFAR1PPARD
SCHEMBL9151095 0.81 EPHX2 (0.43) EPHX2ACE2GPR84FFAR1PPARD
SCHEMBL6201855 0.79 NOS3 (0.40) EPHX2ACE2GPR84FFAR1PPARD
SCHEMBL28897083 0.79 EPHX2 (0.41) EPHX2ACE2GPR84FFAR1PPARD
SCHEMBL11007741 0.79 EPHX2 (0.43) EPHX2ACE2GPR84FFAR1PPARD
SCHEMBL31346605 0.79 EPHX2 (0.43) EPHX2ACE2GPR84FFAR1PPARD
SCHEMBL1574130 0.78 EPHX2 (0.38) EPHX2ACE2GPR84FFAR1PPARD
SCHEMBL4979255 0.78 EPHX2 (0.38) EPHX2ACE2GPR84FFAR1PPARD

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-2018178397-A1 N-ALKYLATED AMINO ACIDS AND OLIGOPEPTIDES, USES THEREOF AND METHODS FOR PROVIDING THEM. RIJKSUNIVERSITEIT GRONINGEN (NL) 2018-10-04 WO claimed