SCHEMBL4003908

SCHEMBL4003908

CCCCCCCCCCCCCCCCCC(=O)C([C]=O)(C(=O)CCCCCCCCCCCCCCCCC)P(=O)(O)O

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FAAH O00519 8/20 0.48
CES1 P23141 5/20 0.48
CES2 O00748 2/20 0.48
MEN1 O00255 1/20 0.48
CYP1A2 P05177 1/20 0.48
KMT2A Q03164 1/20 0.48
HSD17B10 Q99714 1/20 0.48
GGPS1 O95749 6/20 0.44
FDPS P14324 8/20 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
SCHEMBL2779352 1.00 FAAH (0.48) FAAHCES1CES2MEN1CYP1A2
SCHEMBL7697441 0.73 FAAH (0.52) FAAHCES1CES2MEN1CYP1A2
SCHEMBL23045280 0.73 FAAH (0.55) FAAHCES1CES2MEN1CYP1A2
SCHEMBL1667812 0.73 FAAH (0.55) FAAHCES1CES2MEN1CYP1A2
SCHEMBL26981912 0.73 FAAH (0.55) FAAHCES1CES2MEN1CYP1A2
SCHEMBL2781400 0.73 FAAH (0.50) FAAHCES1CES2MEN1CYP1A2
SCHEMBL1862740 0.73 FAAH (0.50) FAAHCES1CES2MEN1CYP1A2
SCHEMBL3996310 0.73 FAAH (0.50) FAAHCES1CES2MEN1CYP1A2
Phosphoric Acid SCHEMBL5312301 0.72 FAAH (0.53) FAAHCES1CES2MEN1CYP1A2
SCHEMBL8744870 0.72 FAAH (0.53) FAAHCES1CES2MEN1CYP1A2

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-2009074569-A1 TARGETING AND THERAPEUTIC COMPOUNDS WITH A POLYPROLINE-COMPRISING SPACER AND GAS-FILLED MICROVESICLES COMPRISING SAID COMPOUNDS BRACCO INTERNATIONAL BV (NL) 2009-06-18 WO disclosed