SCHEMBL28339490

SCHEMBL28339490

On1nnnc1Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
MGLL Q99685 2/20 0.46
FAAH O00519 1/20 0.46
CNR2 P34972 1/20 0.45
GFER P55789 1/20 0.45
STAT5B P51692 1/20 0.43
TRPV1 Q8NER1 3/20 0.43
HSD11B1 P28845 2/20 0.42
DAGLA Q9Y4D2 2/20 0.42
CALM1 P0DP23 1/20 0.41
CDK1 P06493 1/20 0.41
CCNB1 P14635 1/20 0.41
CDK2 P24941 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CD74 P04233 1/20 0.38
MIF P14174 1/20 0.38

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
SCHEMBL28099662 0.78 CNR2 (0.54) ALDH1A1MGLLFAAHCNR2STAT5B
SCHEMBL4407041 0.77 ALDH1A1 (0.46) ALDH1A1MGLLFAAHCNR2GFER
SCHEMBL1067246 0.77 ALDH1A1 (0.46) ALDH1A1MGLLFAAHCNR2GFER
SCHEMBL4407850 0.77 CNR2 (0.45) ALDH1A1MGLLFAAHCNR2GFER
SCHEMBL4409003 0.77 CNR2 (0.49) ALDH1A1MGLLFAAHCNR2GFER
SCHEMBL4413673 0.77 CNR2 (0.45) ALDH1A1MGLLFAAHCNR2GFER
SCHEMBL9643255 0.77 MGLL (0.59) ALDH1A1MGLLFAAHSTAT5BTRPV1
SCHEMBL4405904 0.76 HSD11B1 (0.59) ALDH1A1HSD11B1MEN1KMT2A
SCHEMBL4406847 0.76 ALDH1A1 (0.59) ALDH1A1CNR2STAT5BMEN1KMT2A
SCHEMBL9522302 0.75 GFER (0.55) ALDH1A1GFERCALM1CDK1CCNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112165866-B Compositions and methods for increasing water ingestion in companion animals 希尔氏宠物营养品公司 2024-03-26 CN disclosed
CN-110665541-B Beta-cyclodextrin composition and preparation method thereof 深圳市金百瑞实业有限公司 2022-07-26 CN disclosed
CN-110590973-B Cyclodextrin derivatives and process for producing the same 淮北云端文化传媒有限公司 2021-11-05 CN disclosed
CN-109467502-B Method for splitting mandelic acid compound enantiomer 湖南科技大学 2021-07-30 CN disclosed
CN-110665541-A Beta-cyclodextrin composition and preparation method thereof 滕州京腾鑫汇新材料科技有限公司 2020-01-10 CN disclosed
CN-110590973-A Cyclodextrin derivatives and process for producing the same 滕州京腾鑫汇新材料科技有限公司 2019-12-20 CN disclosed