SCHEMBL2441860

SCHEMBL2441860

CCCCCCC(=O)N[C@H](C(=O)O)[C@@H](C)OP(=O)(O)O

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.51
MEN1 O00255 1/20 0.51
MAPK1 P28482 1/20 0.51
KMT2A Q03164 1/20 0.51
LPAR3 Q9UBY5 4/20 0.50
PLA2G4A P47712 4/20 0.48
NOD1 Q9Y239 1/20 0.47
PLA2G2A P14555 1/20 0.47
PLA2G5 P39877 1/20 0.47
PTPN1 P18031 1/20 0.46
PLA2G10 O15496 1/20 0.44
PLA2G2C Q5R387 1/20 0.43

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
SCHEMBL17821198 0.88 PIN1 (0.40) FAAHMEN1MAPK1KMT2ALPAR3
SCHEMBL148909 0.88 PIN1 (0.40) FAAHMEN1MAPK1KMT2ALPAR3
SCHEMBL1512990 0.88 PIN1 (0.40) FAAHMEN1MAPK1KMT2ALPAR3
SCHEMBL17821203 0.88 PIN1 (0.40) FAAHMEN1MAPK1KMT2ALPAR3
SCHEMBL16093888 0.88 PIN1 (0.40) FAAHMEN1MAPK1KMT2ALPAR3
SCHEMBL7216064 0.85 SLC6A5 (0.62) FAAHMEN1KMT2ALPAR3
SCHEMBL7216171 0.85 SLC6A5 (0.62) FAAHMEN1KMT2ALPAR3
SCHEMBL7216170 0.85 SLC6A5 (0.62) FAAHMEN1KMT2ALPAR3
SCHEMBL7216068 0.85 SLC6A5 (0.62) FAAHMEN1KMT2ALPAR3
Phosphoric Acid SCHEMBL2441857 0.81 FAAH (0.56) FAAHMEN1MAPK1KMT2ALPAR3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2366026-A2 BIOLOGICAL SYNTHESIS OF DIFUNCTIONAL ALKANES FROM ALPHA KETOACIDS Celexion, Llc (US) 2011-09-21 EP disclosed
WO-2010068944-A2 BIOLOGICAL SYNTHESIS OF DIFUNCTIONAL ALKANES FROM CARBOHYDRATE FEEDSTOCKS CELEXION, LLC (US) 2010-06-17 WO disclosed
US-20030219467-A1 Method for the inhibition of methanogensis THE BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA 2003-11-27 US disclosed
WO-2003038109-A2 METHOD FOR THE INHIBITION OF METHANOGENESIS THE BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 2003-05-08 WO disclosed