SCHEMBL28422778

SCHEMBL28422778

COC1O[C@H](OC(=O)c2ccc(C)cc2C)[C@@H](OC(=O)c2ccc(C)cc2)[C@@H]1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LGALS3 P17931 5/20 0.46
▸ LGALS4 P56470 4/20 0.46
▸ LGALS9 O00182 1/20 0.38
▸ LGALS1 P09382 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.36
▸ SCN1A P35498 1/20 0.34
▸ SCN2A Q99250 1/20 0.34
▸ SCN3A Q9NY46 1/20 0.34
▸ PTPN1 P18031 1/20 0.34
▸ RAB9A P51151 4/20 0.33
▸ NPC1 O15118 3/20 0.33
▸ MAPT P10636 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ HTT P42858 1/20 0.32
▸ HPGD P15428 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ NFKB1 P19838 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
SCHEMBL28423018 0.87 LGALS3 (0.42) LGALS3LGALS4LGALS9LGALS1TDP1
SCHEMBL18298135 0.87 LGALS3 (0.39) LGALS3LGALS4PTPN1NPC1KMT2A
SCHEMBL28422760 0.87 LGALS3 (0.50) LGALS3LGALS4PTPN1MAPTKMT2A
SCHEMBL28425890 0.83 LGALS3 (0.46) LGALS3LGALS4TDP1PTPN1RAB9A
SCHEMBL25400709 0.76 NPC1 (0.42) LGALS3LGALS4LGALS9LGALS1PTPN1
SCHEMBL20557379 0.76 HTT (0.38) LGALS3LGALS4LGALS9LGALS1PTPN1
SCHEMBL16757016 0.74 PTPN1 (0.50) LGALS3LGALS4LGALS9LGALS1TDP1
SCHEMBL16774751 0.74 LGALS3 (0.42) LGALS3LGALS4LGALS9LGALS1PTPN1
SCHEMBL28430166 0.74 LGALS3 (0.47) LGALS3LGALS4LGALS9LGALS1PTPN1
SCHEMBL28428520 0.74 LGALS3 (0.36) LGALS3LGALS4LGALS9LGALS1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107011168-B Synthesis intermediates of cytosines and synthesis intermediates of thionucleosides 富士胶片株式会社 2020-06-09 — — CN disclosed
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