SCHEMBL28049067

SCHEMBL28049067

CC(O)c1cccc(C2COCCN2)c1[N+](=O)[O-]

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.33
SSTR4 P31391 1/20 0.33
PRKACA P17612 1/20 0.31
PRKACG P22612 1/20 0.31
PRKACB P22694 1/20 0.31

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
SCHEMBL28687501 0.82 GPR35 (0.42) CTSKPRKACAPRKACGPRKACB
SCHEMBL27972715 0.80 TSHR (0.37) CTSKPRKACAPRKACGPRKACB
SCHEMBL28049070 0.77 PRKACA (0.31) PRKACAPRKACGPRKACB
SCHEMBL28543912 0.75 PRKACA (0.32) PRKACAPRKACGPRKACB
SCHEMBL27181516 0.75 ADRA2A (0.36)
SCHEMBL27564899 0.74 TDP1 (0.46)
SCHEMBL5058414 0.73 KMT2A (0.40)
SCHEMBL24005410 0.73 PRCP (0.35) CTSKSSTR4PRKACAPRKACGPRKACB
SCHEMBL29748355 0.73 PRCP (0.35) CTSKSSTR4PRKACAPRKACGPRKACB
SCHEMBL30421244 0.73 PRCP (0.35) CTSKSSTR4PRKACAPRKACGPRKACB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105585540-A Preparation and application of novel Swern reagent UNIV ZHEJIANG TECHNOLOGY 2016-05-18 CN claimed
CN-105585540-A Preparation and application of novel Swern reagent UNIV ZHEJIANG TECHNOLOGY 2016-05-18 CN disclosed