SCHEMBL16774751

SCHEMBL16774751

Cc1cc(Cl)ccc1C(=O)O[C@H]1OC(O)[C@@H](F)[C@@H]1OC(=O)c1ccc(Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LGALS3 P17931 4/20 0.42
▸ LGALS4 P56470 3/20 0.42
▸ FLT1 P17948 1/20 0.34
▸ FLT4 P35916 1/20 0.34
▸ KDR P35968 1/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ NPC1 O15118 3/20 0.34
▸ LMNA P02545 2/20 0.34
▸ RECQL P46063 1/20 0.34
▸ CYP2C19 P33261 3/20 0.33
▸ PTPN1 P18031 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ MAPT P10636 4/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ LGALS9 O00182 1/20 0.33
▸ LGALS1 P09382 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ MEN1 O00255 2/20 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 0.86 LGALS3 (0.42) LGALS3LGALS4NPC1PTPN1MAPT
SCHEMBL28430166 0.84 LGALS3 (0.47) LGALS3LGALS4CYP2C19PTPN1MAPT
SCHEMBL20557379 0.83 HTT (0.38) LGALS3LGALS4NPC1CYP2C19PTPN1
SCHEMBL16774476 0.81 ADRB2 (0.45) LGALS3LGALS4NPC1PTPN1MAPT
SCHEMBL28427525 0.81 NPC1 (0.40) LGALS3LGALS4L3MBTL1NPC1LMNA
SCHEMBL28562523 0.81 NPC1 (0.40) LGALS3LGALS4L3MBTL1NPC1LMNA
SCHEMBL28422851 0.80 KMT2A (0.38) LGALS3LGALS4L3MBTL1NPC1LMNA
SCHEMBL16774479 0.78 LGALS3 (0.37) LGALS3LGALS4FLT1FLT4KDR
SCHEMBL16774750 0.76 ABL1 (0.40) LGALS3LGALS4FLT1FLT4KDR
SCHEMBL18298145 0.75 FLT1 (0.36) LGALS3LGALS4FLT1FLT4KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3184112-B1 SYNTHETIC INTERMEDIATE OF 1-(2-DEOXY-2-FLUORO-4-THIO-ß-D-ARABINOFURANOSYL)CYTOSINE FUJIFILM CORP (JP) 2020-12-23 — — EP disclosed
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
EP-3184112-A1 SYNTHETIC INTERMEDIATE OF 1-(2-DEOXY-2-FLUORO-4-THIO-SS-D-ARABINOFURANOSYL)CYTOSINE Fujifilm Corporation (JP) 2017-06-28 — — EP disclosed
EP-2883866-A1 INTERMEDIATE FOR SYNTHESIS OF 1-(2-DEOXY-2-FLUORO-4-THIO-beta-D-ARABINOFURANOSYL) CYTOSINE, INTERMEDIATE FOR SYNTHESIS OF THIONUCLEOSIDE, AND METHODS FOR PRODUCING THESE INTERMEDIATES FUJIFILM Corporation (JP) 2015-06-17 — — EP disclosed
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