SCHEMBL28513909

SCHEMBL28513909

C=CC1CCCCN(CCCCCCCCCCCC)C1=O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.40
MMP1 P03956 3/20 0.36
MMP3 P08254 3/20 0.36
ALOX5 P09917 2/20 0.36
CHRNB2 P17787 3/20 0.36
CHRNA7 P36544 3/20 0.36
CHRNA4 P43681 3/20 0.36
ELANE P08246 1/20 0.35
ALDH1A1 P00352 2/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
S1PR5 Q9H228 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
BCHE P06276 1/20 0.33

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
SCHEMBL5303207 0.90 GBA1 (0.43) GBA1ALOX5ELANEALDH1A1BCHE
SCHEMBL369965 0.90 GBA1 (0.43) GBA1ALOX5ELANEALDH1A1BCHE
SCHEMBL4282749 0.90 GBA1 (0.43) GBA1ALOX5ELANEALDH1A1BCHE
SCHEMBL633078 0.81 GBA1 (0.32) GBA1
SCHEMBL28354948 0.79 GBA1 (0.44) GBA1MMP1MMP3ALOX5CHRNB2
SCHEMBL9319719 0.78 GBA1 (0.43) GBA1MMP1MMP3ALOX5CHRNB2
SCHEMBL28354693 0.77 GBA1 (0.42) GBA1MMP1MMP3ALOX5CHRNB2
SCHEMBL28354841 0.77 GBA1 (0.42) GBA1MMP1MMP3ALOX5CHRNB2
SCHEMBL786721 0.76 FAAH (0.34) CHRNB2CHRNA7CHRNA4
SCHEMBL2922550 0.76 FAAH (0.34) CHRNB2CHRNA7CHRNA4

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-112321597-A Chlorin e6Derivative, preparation method and application thereof 桂林市兴达光电医疗器械有限公司 2021-02-05 CN claimed
CN-112321597-A Chlorin e6Derivative, preparation method and application thereof 桂林市兴达光电医疗器械有限公司 2021-02-05 CN disclosed