SCHEMBL6549045

SCHEMBL6549045

CCCCCCCC/C=C\CCCCCCCCN(C(=O)O)C(O)C(O)CO

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.51
TERT O14746 3/20 0.45
PTPN1 P18031 3/20 0.45
PPARG P37231 3/20 0.45
PPARD Q03181 3/20 0.45
PPARA Q07869 3/20 0.45
TOP1 P11387 3/20 0.45
MAPT P10636 2/20 0.45
BLM P54132 2/20 0.45
HSD17B10 Q99714 2/20 0.45
FABP4 P15090 2/20 0.45
GMNN O75496 1/20 0.45
USP2 O75604 1/20 0.45
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.45
POLB P06746 1/20 0.45
CYP2C9 P11712 1/20 0.45
ALOX15 P16050 1/20 0.45
APEX1 P27695 1/20 0.45
CYP2C19 P33261 1/20 0.45

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 0.91 GPR84 (0.39) EPHX2MAPTBLMGMNNLMNA
SCHEMBL6548676 0.91 GPR84 (0.39) EPHX2MAPTBLMGMNNLMNA
SCHEMBL15103217 0.75 EPHX2 (0.69) EPHX2TERTPTPN1PPARGPPARD
SCHEMBL15103218 0.75 EPHX2 (0.69) EPHX2TERTPTPN1PPARGPPARD
Oleic Acid SCHEMBL23781815 0.74 PPARG (0.77) TERTPTPN1PPARGPPARDPPARA
Oleic Acid SCHEMBL29604212 0.74 PPARG (0.77) TERTPTPN1PPARGPPARDPPARA
Bicarbonate SCHEMBL28924371 0.74 DEGS1 (0.52) TERTPTPN1PPARGPPARDPPARA
SCHEMBL1661342 0.73 EPHX2 (0.50) EPHX2TERTPTPN1PPARGPPARD
SCHEMBL7802415 0.73 FAAH (0.44) EPHX2MAPTBLMGMNNLMNA
SCHEMBL7802466 0.73 FAAH (0.44) EPHX2MAPTBLMGMNNLMNA

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