SCHEMBL25633770

SCHEMBL25633770

CCCCCCOC(=O)C(O)(CC(=O)OCCO)C(=O)OCCO

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.51
RAD52 P43351 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
FAAH O00519 1/20 0.44
DGKA P23743 1/20 0.43
HTR2C P28335 1/20 0.43
MGLL Q99685 1/20 0.42
EPHX1 P07099 1/20 0.41
MEN1 O00255 1/20 0.41
THRB P10828 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 2/20 0.40
ACHE P22303 4/20 0.40

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
SCHEMBL21257057 1.00 NAAA (0.51) NAAARAD52NPSR1FAAHDGKA
SCHEMBL8417157 0.86 NAAA (0.53) NAAARAD52NPSR1FAAHDGKA
SCHEMBL2232723 0.86 NAAA (0.53) NAAARAD52NPSR1FAAHDGKA
SCHEMBL8418803 0.86 NAAA (0.53) NAAARAD52NPSR1FAAHDGKA
SCHEMBL8418807 0.83 NAAA (0.50) NAAARAD52NPSR1FAAHDGKA
SCHEMBL9723691 0.83 NAAA (0.50) NAAARAD52NPSR1FAAHDGKA
SCHEMBL8417228 0.83 NAAA (0.50) NAAARAD52NPSR1FAAHDGKA
SCHEMBL8417188 0.83 NAAA (0.50) NAAARAD52NPSR1FAAHDGKA
SCHEMBL10011599 0.81 NAAA (0.51) NAAARAD52NPSR1FAAHDGKA
SCHEMBL1400502 0.80 NAAA (0.58) NAAARAD52NPSR1FAAHDGKA

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
EP-3752588-B1 ANTI-WEAR COMPOSITION FOR LUBRICANTS LANXESS CORP (US) 2023-06-14 EP disclosed