SCHEMBL28111523

SCHEMBL28111523

CCCCCCCCCCCCOC[C@H]1O[C@@H](OCCCN=[N+]=[N-])[C@H](OCCCCCCCCCCCC)[C@H]2OC(C)(C)O[C@H]21

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GJB2 P29033 3/20 0.34
▸ HPSE Q9Y251 5/20 0.32
▸ FGF1 P05230 3/20 0.32
▸ FGF2 P09038 3/20 0.32
▸ VEGFA P15692 3/20 0.32
▸ MAPK1 P28482 1/20 0.31
▸ TNF P01375 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30
▸ PTN P21246 1/20 0.30
▸ MDK P21741 1/20 0.30
▸ BDNF P23560 1/20 0.30

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
SCHEMBL28112140 1.00 GJB2 (0.34) GJB2HPSEFGF1FGF2VEGFA
SCHEMBL19453268 0.96 GJB2 (0.32) GJB2
SCHEMBL19453278 0.89 HPSE (0.35) GJB2HPSEFGF1FGF2VEGFA
SCHEMBL28111520 0.81 GJB2 (0.44) GJB2MAPK1TNFPTNMDK
SCHEMBL28111519 0.81 GJB2 (0.44) GJB2MAPK1TNFPTNMDK
SCHEMBL17087718 0.80 DDB1 (0.31) —
SCHEMBL25964180 0.80 SSTR1 (0.39) GJB2
SCHEMBL22842844 0.80 SSTR1 (0.39) GJB2
SCHEMBL28276197 0.76 — —
SCHEMBL28276200 0.76 — —

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-106267224-A The preparation method of galactose derivative cationic-liposome nano-particle 湖南师范大学 2017-01-04 — — CN claimed
CN-106267224-A The preparation method of galactose derivative cationic-liposome nano-particle 湖南师范大学 2017-01-04 — — CN disclosed
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