SCHEMBL6895533

SCHEMBL6895533

CCCCCCCCCCCCCCCCCCOCCCOC(=O)CP(=O)(O)O

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.55
RAD52 P43351 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
FAAH O00519 1/20 0.46
LPAR3 Q9UBY5 3/20 0.46
LPAR1 Q92633 2/20 0.46
LPAR2 Q9HBW0 2/20 0.46
DGKA P23743 1/20 0.46
HTR2C P28335 1/20 0.45
P2RY10 O00398 5/20 0.45
GPR34 Q9UPC5 2/20 0.45
CES2 O00748 1/20 0.44
EPHX1 P07099 1/20 0.43
LPAR5 Q9H1C0 1/20 0.43
MEN1 O00255 1/20 0.43
THRB P10828 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 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
SCHEMBL6896796 0.93 NAAA (0.50) NAAARAD52NPSR1FAAHLPAR3
SCHEMBL11682923 0.93 NAAA (0.62) NAAARAD52NPSR1FAAHLPAR3
Butane SCHEMBL2043815 0.91 NAAA (0.60) NAAARAD52NPSR1FAAHLPAR3
Butane SCHEMBL2051226 0.91 NAAA (0.60) NAAARAD52NPSR1FAAHLPAR3
Butane SCHEMBL2046235 0.91 NAAA (0.60) NAAARAD52NPSR1FAAHLPAR3
SCHEMBL1408929 0.86 ALDH1A1 (0.50) NAAARAD52NPSR1FAAHLPAR3
Diethylamine SCHEMBL27831389 0.85 NAAA (0.53) NAAARAD52NPSR1FAAHLPAR3
Diethylamine SCHEMBL27831359 0.85 NAAA (0.53) NAAARAD52NPSR1FAAHLPAR3
Butane SCHEMBL2237628 0.84 NAAA (0.48) NAAARAD52NPSR1FAAHDGKA
SCHEMBL1092256 0.80 NAAA (0.84) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0792275-B1 IMPROVED ANTIVIRAL PRODRUGS UNIV CALIFORNIA (US) 2004-03-03 EP claimed
EP-0792275-A4 IMPROVED ANTIVIRAL PRODRUGS UNIV CALIFORNIA (US) 1998-02-25 EP claimed
US-5696277-A CYTOMEGALOVIRUS, HERPES VIRUS Hostetler, Karl Y. (US) 1997-12-09 US claimed
EP-0792275-A1 IMPROVED ANTIVIRAL PRODRUGS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1997-09-03 EP claimed
WO-1996015132-A1 IMPROVED ANTIVIRAL PRODRUGS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1996-05-23 WO claimed