SCHEMBL17685117

SCHEMBL17685117

CC1(F)C(Cl)O[C@H](COC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.50
▸ POLB P06746 3/20 0.42
▸ GAA P10253 2/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ KMT2A Q03164 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ USP2 O75604 1/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ GAPDH P04406 1/20 0.39
▸ SLC6A2 P23975 1/20 0.39
▸ SLC6A3 Q01959 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ HPGD P15428 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ CHRNB2 P17787 1/20 0.38
▸ CHRNA5 P30532 1/20 0.38
▸ CHRNA7 P36544 1/20 0.38
▸ CHRNA4 P43681 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
SCHEMBL18271832 1.00 ALDH1A1 (0.50) ALDH1A1POLBGAAMAPK1NPSR1
SCHEMBL16556366 1.00 ALDH1A1 (0.50) ALDH1A1POLBGAAMAPK1NPSR1
SCHEMBL13424575 1.00 ALDH1A1 (0.50) ALDH1A1POLBGAAMAPK1NPSR1
SCHEMBL929589 1.00 ALDH1A1 (0.50) ALDH1A1POLBGAAMAPK1NPSR1
SCHEMBL24371811 0.88 ALDH1A1 (0.50) ALDH1A1POLBGAAMAPK1NPSR1
SCHEMBL19326428 0.88 ALDH1A1 (0.50) ALDH1A1POLBGAAMAPK1NPSR1
SCHEMBL929484 0.88 ALDH1A1 (0.50) ALDH1A1POLBGAAMAPK1NPSR1
SCHEMBL17560666 0.88 ALDH1A1 (0.50) ALDH1A1POLBGAAMAPK1NPSR1
SCHEMBL21015462 0.88 ALDH1A1 (0.50) ALDH1A1POLBGAAMAPK1NPSR1
SCHEMBL19326334 0.88 ALDH1A1 (0.50) ALDH1A1POLBGAAMAPK1NPSR1

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
EP-2855497-B1 PROCESS FOR THE PREPARATION OF 2-DEOXY-2-FLUORO-2-METHYL-D-RIBOFURANOSYL NUCLEOSIDE COMPOUNDS HOFFMANN LA ROCHE (CH) 2016-04-20 — — EP disclosed
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