SCHEMBL28426565

SCHEMBL28426565

CC(=O)O[C@@H]1S[C@@H](OC(=O)c2ccc(Cl)cc2C)[C@@H](OC(=O)c2ccc(Cl)cc2)[C@@H]1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LGALS3 P17931 1/20 0.34
▸ LGALS4 P56470 1/20 0.34
▸ FLT1 P17948 2/20 0.33
▸ FLT4 P35916 2/20 0.33
▸ KDR P35968 2/20 0.33
▸ CYP2D6 P10635 3/20 0.32
▸ CYP2C19 P33261 3/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MAPT P10636 5/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ NPC1 O15118 3/20 0.31
▸ RAB9A P51151 3/20 0.31
▸ L3MBTL1 Q9Y468 3/20 0.31
▸ HPGD P15428 2/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ CASP3 P42574 1/20 0.31
▸ SENP7 Q9BQF6 1/20 0.31
▸ MET P08581 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31

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
SCHEMBL16774479 0.87 LGALS3 (0.37) LGALS3LGALS4FLT1FLT4KDR
SCHEMBL28423026 0.87 MET (0.36) LGALS3LGALS4MAPTKMT2ANPC1
SCHEMBL18298145 0.86 FLT1 (0.36) LGALS3LGALS4FLT1FLT4KDR
SCHEMBL28422972 0.84 HTT (0.36) CYP2D6CYP2C19MAPTKMT2ANPC1
SCHEMBL28427485 0.84 KDM4E (0.39) LGALS3LGALS4CYP2C19MAPTHPGD
SCHEMBL28709000 0.81 NPC1 (0.39) LMNAMAPTKMT2ANPC1RAB9A
SCHEMBL28420705 0.81 NPC1 (0.39) LMNAMAPTKMT2ANPC1RAB9A
SCHEMBL28428626 0.81 KMT2A (0.36) CYP2C19LMNAMAPTKMT2ANPC1
SCHEMBL28422999 0.78 MET (0.37) LGALS3LGALS4MAPTKMT2ANPC1
SCHEMBL28627968 0.78 TSHR (0.39) LGALS3LMNAKMT2AMEN1POLB

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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