SCHEMBL26626698

SCHEMBL26626698

CCCCCCCCCCCCOC(=O)CN=[N+]=[N-]

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.56
RAD52 P43351 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
PRSS1 P07477 1/20 0.49
PRSS2 P07478 1/20 0.49
PRSS3 P35030 1/20 0.49
FAAH O00519 2/20 0.47
DGKA P23743 1/20 0.47
HTR2C P28335 1/20 0.46
EPHX1 P07099 1/20 0.44
TSHR P16473 3/20 0.43
HCAR2 Q8TDS4 1/20 0.41
DNM1 Q05193 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
ACHE P22303 1/20 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
SCHEMBL17039155 0.93 NAAA (0.46) NAAARAD52NPSR1PRSS1PRSS2
SCHEMBL16299753 0.82 PRSS1 (0.64) NAAARAD52NPSR1PRSS1PRSS2
SCHEMBL16299767 0.82 PRSS1 (0.64) NAAARAD52NPSR1PRSS1PRSS2
SCHEMBL16013207 0.82 ALOX5 (0.33) NAAARAD52NPSR1
SCHEMBL17411107 0.79 CYP1A2 (0.33) PRSS1PRSS2PRSS3HTR2C
SCHEMBL8379908 0.78 NAAA (0.64) NAAARAD52NPSR1PRSS1PRSS2
SCHEMBL8642295 0.78 NAAA (0.64) NAAARAD52NPSR1PRSS1PRSS2
SCHEMBL14682838 0.78 ALDH1A1 (0.35) NAAARAD52NPSR1PRSS1PRSS2
SCHEMBL25808991 0.77 ALDH1A1 (0.47) DGKATSHRALDH1A1
SCHEMBL8642771 0.76 NAAA (0.61) NAAARAD52NPSR1PRSS1PRSS2

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-2023212650-A1 NEXT GENERATION DIPROVOCIMS THAT ACTIVATE THE INNATE AND ADAPTIVE IMMUNE RESPONSE THE SCRIPPS RESEARCH INSTITUTE (US) 2023-11-02 WO disclosed