SCHEMBL6548976

SCHEMBL6548976

CCCCCCCCCCCCN(C(=O)O)C(O)C(O)CO

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 7/20 0.39
FFAR1 O14842 2/20 0.39
EPHX2 P34913 1/20 0.38
CYP2D6 P10635 2/20 0.37
KDM4E B2RXH2 2/20 0.37
SPHK1 Q9NYA1 1/20 0.37
GMNN O75496 1/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
THPO P40225 1/20 0.37
MTOR P42345 1/20 0.37
BLM P54132 1/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
CETP P11597 1/20 0.37
HTT P42858 1/20 0.37
UBE2N P61088 1/20 0.37
MEN1 O00255 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
SCHEMBL6550188 1.00 GPR84 (0.39) GPR84FFAR1EPHX2CYP2D6KDM4E
SCHEMBL6548676 1.00 GPR84 (0.39) GPR84FFAR1EPHX2CYP2D6KDM4E
SCHEMBL6549045 0.91 EPHX2 (0.51) EPHX2GMNNLMNAPOLBBLM
SCHEMBL1759008 0.76 EPHX2 (0.54) GPR84FFAR1EPHX2MEN1KMT2A
SCHEMBL15513193 0.72 CA12 (0.38) GPR84FFAR1EPHX2MAPTMEN1
SCHEMBL29201414 0.71 MAPT (0.44) GPR84FFAR1EPHX2MAPTMEN1
SCHEMBL15589936 0.71 CA1 (0.36) GPR84FFAR1EPHX2MAPT
SCHEMBL16197622 0.71 CA1 (0.36) GPR84FFAR1EPHX2MAPT
SCHEMBL7749705 0.70 CA12 (0.40) GPR84FFAR1CYP2D6KDM4ESPHK1
SCHEMBL15225281 0.70 FAAH (0.40) GPR84FFAR1EPHX2CYP1A2MAPT

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-1383738-A2 ALKYL AND/OR ALKENYL GLYCEROL CARBAMATES Cognis Deutschland GmbH & Co. KG (DE) 2004-01-28 EP disclosed
WO-2002083626-A2 ALKYL AND/OR ALKENYL GLYCEROL CARBAMATES COGNIS DEUTSCHLAND GMBH & CO. KG (DE) 2002-10-24 WO disclosed