SCHEMBL9754109

SCHEMBL9754109

CCCCCCCCCCCCOC(=N)CC(=O)OCC

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.53
FAAH O00519 2/20 0.53
EPHX1 P07099 1/20 0.50
MGAM O43451 1/20 0.48
GAA P10253 1/20 0.48
SI P14410 1/20 0.48
MGAM2 Q2M2H8 1/20 0.48
HTR2C P28335 1/20 0.47
RAD52 P43351 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ACHE P22303 6/20 0.44
TSHR P16473 2/20 0.44
DGKA P23743 1/20 0.44
HCAR2 Q8TDS4 1/20 0.42

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
Hydrochloric Acid SCHEMBL8375112 0.98 NAAA (0.52) NAAAFAAHEPHX1MGAMGAA
Hydrochloric Acid SCHEMBL8376469 0.91 NAAA (0.60) NAAAFAAHEPHX1HTR2CRAD52
Hydrochloric Acid SCHEMBL11520772 0.91 MGAM (0.50) NAAAFAAHEPHX1MGAMGAA
Hydrochloric Acid SCHEMBL11877025 0.86 NAAA (0.53) NAAAFAAHEPHX1HTR2CRAD52
SCHEMBL29098801 0.85 NAAA (0.67) NAAAFAAHEPHX1MGAMGAA
SCHEMBL27889667 0.85 NAAA (0.67) NAAAFAAHEPHX1MGAMGAA
SCHEMBL18319981 0.85 NAAA (0.67) NAAAFAAHEPHX1MGAMGAA
SCHEMBL22462401 0.85 NAAA (0.67) NAAAFAAHEPHX1MGAMGAA
SCHEMBL8281579 0.85 GAA (0.56) FAAHMGAMGAASIMGAM2
SCHEMBL27412964 0.85 NAAA (0.67) NAAAFAAHEPHX1MGAMGAA

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-1991014970-A1 PYRAZOLO[1,5-a]BENZIMIDAZOLE PHOTOGRAPHIC COLOUR COUPLERS KODAK LIMITED (GB) 1991-10-03 WO disclosed