SCHEMBL12295242

SCHEMBL12295242

CC(=O)CC[C@@H](C=O)NC(=O)CCCCCCCCCCCCCCCCC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2C Q5R387 1/20 0.44
PLA2G10 O15496 2/20 0.43
ADRA1A P35348 1/20 0.39
NOD1 Q9Y239 1/20 0.38
TSHR P16473 3/20 0.38
FAAH O00519 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPK1 P28482 1/20 0.38
LMNA P02545 1/20 0.38
NFKB1 P19838 1/20 0.38
PMP22 Q01453 1/20 0.38
FFAR4 Q5NUL3 1/20 0.37
FFAR1 O14842 1/20 0.37
EPHX2 P34913 2/20 0.36
PPARG P37231 3/20 0.36
PPARD Q03181 3/20 0.36
PPARA Q07869 3/20 0.36
GPR84 Q9NQS5 2/20 0.36
HDAC11 Q96DB2 2/20 0.36

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
SCHEMBL14240724 1.00 PLA2G2C (0.44) PLA2G2CPLA2G10ADRA1ANOD1TSHR
SCHEMBL12664911 0.90 PLA2G2C (0.49) PLA2G2CPLA2G10NOD1TSHRFAAH
SCHEMBL27329731 0.88 FAAH (0.53) PLA2G2CPLA2G10NOD1FAAHMEN1
SCHEMBL25666774 0.86 PLA2G2C (0.53) PLA2G2CPLA2G10NOD1TSHRFAAH
SCHEMBL24486692 0.85 PLA2G2C (0.42) PLA2G2CPLA2G10TSHRLMNANFKB1
SCHEMBL173035 0.85 PLA2G2C (0.42) PLA2G2CPLA2G10TSHRLMNANFKB1
SCHEMBL23447066 0.85 PAOX (0.38) PLA2G2CPLA2G10NOD1FAAHMEN1
SCHEMBL29880335 0.84 PLA2G2C (0.63) PLA2G2CPLA2G10NOD1TSHRFAAH
SCHEMBL21686230 0.84 PLA2G2C (0.63) PLA2G2CPLA2G10NOD1TSHRFAAH
SCHEMBL9127074 0.84 PLA2G2C (0.63) PLA2G2CPLA2G10NOD1TSHRFAAH

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-2011117416-A1 NOVEL GLUCAGON ANALOGUES NOVO NORDISK A/S (DK) 2011-09-29 WO disclosed