SCHEMBL9716256

SCHEMBL9716256

CCCCCCCCCCCCCCCCCCOC(OC(OCCCCCCCCCCCCCCCCCC)C1CO1)C1CO1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
DNM1 Q05193 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.36
SPHK1 Q9NYA1 2/20 0.36
SPHK2 Q9NRA0 1/20 0.36
EPHX1 P07099 1/20 0.33
RECQL P46063 2/20 0.32
GLA P06280 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
EPHX2 P34913 1/20 0.32
BLM P54132 1/20 0.32
GBA1 P04062 1/20 0.32
LPAR1 Q92633 3/20 0.32
LPAR3 Q9UBY5 3/20 0.32
LPAR2 Q9HBW0 1/20 0.32

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
SCHEMBL11690112 0.92 SMN1; SMN2 (0.42) ALDH1A1TDP1DNM1SMN1; SMN2
SCHEMBL9447726 0.92 ALDH1A1 (0.48) ALDH1A1TDP1DNM1SMN1; SMN2SPHK1
SCHEMBL10494252 0.79 ALDH1A1 (0.47) ALDH1A1TDP1DNM1SMN1; SMN2SPHK1
SCHEMBL11465610 0.79 ALDH1A1 (0.47) ALDH1A1TDP1DNM1SMN1; SMN2SPHK1
SCHEMBL11473226 0.79 ALDH1A1 (0.47) ALDH1A1TDP1DNM1SMN1; SMN2SPHK1
SCHEMBL11211348 0.79
SCHEMBL11462825 0.79 ALDH1A1 (0.47) ALDH1A1TDP1DNM1SMN1; SMN2SPHK1
SCHEMBL11456926 0.79 ALDH1A1 (0.47) ALDH1A1TDP1DNM1SMN1; SMN2SPHK1
SCHEMBL27539756 0.78 ALDH1A1 (0.46) ALDH1A1TDP1DNM1SMN1; SMN2SPHK1
SCHEMBL6431111 0.77 ALDH1A1 (0.44) ALDH1A1TDP1DNM1SMN1; SMN2SPHK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110521723-B Sulfonylation chitosan microcapsule preparation for efficiently preventing and controlling diseases such as vegetable gray mold and the like 扬州诺丰农业科技有限公司 2021-12-03 CN disclosed
CN-110558317-B Sulfonyl chitosan microcapsule preparation for preventing and controlling vegetable gray mold 扬州大学 2021-07-16 CN disclosed
CN-110558327-B Bactericidal preparation for preventing and treating tomato gray mold 扬州大学 2021-03-19 CN disclosed
CN-110558327-A Bactericidal preparation for preventing and treating tomato gray mold 扬州大学 2019-12-13 CN disclosed
CN-110558317-A Sulfonylation chitosan microcapsule preparation for efficiently preventing and controlling diseases such as vegetable gray mold and the like 扬州大学 2019-12-13 CN disclosed
US-5103007-A Antitumor agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-04-07 US disclosed
EP-0378763-A1 Lipids, their production and use Takeda Chemical Industries, Ltd. (JP) 1990-07-25 EP disclosed