SCHEMBL28358596

SCHEMBL28358596

CCCCCCCCC1CCCCN(C)C1=O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.46
CHRNA7 P36544 1/20 0.46
CHRNA4 P43681 1/20 0.46
S1PR1 P21453 3/20 0.42
S1PR3 Q99500 3/20 0.42
S1PR5 Q9H228 3/20 0.42
CYP1A2 P05177 3/20 0.38
ALOX5 P09917 2/20 0.36
GBA1 P04062 1/20 0.35
ALDH1A1 P00352 1/20 0.35
BCHE P06276 1/20 0.35
S1PR4 O95977 1/20 0.35
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL15958842 0.98 CHRNB2 (0.44) CHRNB2CHRNA7CHRNA4S1PR1S1PR3
SCHEMBL28905056 0.95 S1PR1 (0.40) CHRNB2CHRNA7CHRNA4S1PR1S1PR3
SCHEMBL4486955 0.88 CYP1A2 (0.41) CHRNB2CHRNA7CHRNA4S1PR1S1PR3
SCHEMBL31026188 0.88 CYP1A2 (0.41) CHRNB2CHRNA7CHRNA4S1PR1S1PR3
SCHEMBL21596445 0.88 CYP1A2 (0.41) CHRNB2CHRNA7CHRNA4S1PR1S1PR3
SCHEMBL8333332 0.88 CYP1A2 (0.41) CHRNB2CHRNA7CHRNA4S1PR1S1PR3
SCHEMBL3792450 0.88 CYP1A2 (0.41) CHRNB2CHRNA7CHRNA4S1PR1S1PR3
SCHEMBL10491064 0.86 OPRM1 (0.35) CHRNB2CHRNA7CHRNA4ALDH1A1
SCHEMBL7633965 0.86 CYP1A2 (0.39) CHRNB2CHRNA7CHRNA4S1PR1S1PR3
SCHEMBL28358773 0.84 CHRNB2 (0.43) CHRNB2CHRNA7CHRNA4S1PR1S1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110787300-B Composition containing sodium hyaluronate and preparation and application thereof 中山万远新药研发有限公司 2020-09-22 CN claimed
CN-110787300-A Composition containing sodium hyaluronate and preparation and application thereof 中山万远新药研发有限公司 2020-02-14 CN claimed
CN-110787300-B Composition containing sodium hyaluronate and preparation and application thereof 中山万远新药研发有限公司 2020-09-22 CN disclosed
CN-110787300-A Composition containing sodium hyaluronate and preparation and application thereof 中山万远新药研发有限公司 2020-02-14 CN disclosed