SCHEMBL28820482

SCHEMBL28820482

CCC(=O)CC.CCc1ccccc1NC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.46
GRIN2D O15399 1/20 0.46
GRIN3B O60391 1/20 0.46
GRIN1 Q05586 1/20 0.46
GRIN2A Q12879 1/20 0.46
GRIN2B Q13224 1/20 0.46
GRIN2C Q14957 1/20 0.46
GRIN3A Q8TCU5 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46

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
SCHEMBL1682034 0.88 ALDH1A1 (0.50) POLBGRIN2DGRIN3BGRIN1GRIN2A
Hydrochloric Acid SCHEMBL2860880 0.86 ALDH1A1 (0.48) POLBGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL23188994 0.81 IAPP (0.44) POLBSIGMAR1HDAC3HDAC4HDAC1
SCHEMBL27616243 0.81 TDP1 (0.53) POLBGRIN2DGRIN3BGRIN1GRIN2A
Propionaldehyde SCHEMBL28820483 0.78 MAPT (0.43) POLBGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL18402721 0.76 ALDH1A1 (0.47) POLBGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6966015 0.74 KDM4E (0.44) POLBSIGMAR1ALDH1A1MAPTGAA
SCHEMBL1964864 0.74 PTGS2 (0.60) CLCN2
SCHEMBL6275740 0.74 L3MBTL1 (0.46) POLBSIGMAR1ALDH1A1KDM4EATM
SCHEMBL3022920 0.74 HDAC3 (0.65) POLBGRIN2DGRIN3BGRIN1GRIN2A

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
CN-104876828-A Method for synthesizing synephrine, its hydrochloride and tartrate LI YUSHAN 2015-09-02 CN disclosed