SCHEMBL10048538

SCHEMBL10048538

C[C@@H]1O[C@H](CO)C(OC(=O)c2ccccc2)C1(F)F

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LGALS9 O00182 3/20 0.46
▸ LGALS1 P09382 3/20 0.46
▸ LGALS3 P17931 3/20 0.46
▸ LGALS7; LGALS7B P47929 2/20 0.46
▸ RNASE1 P07998 1/20 0.39
▸ GAA P10253 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ ABCB1 P08183 1/20 0.37
▸ SELP P16109 3/20 0.36
▸ POLB P06746 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ SLC6A2 P23975 1/20 0.36
▸ SLC6A3 Q01959 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ MAOB P27338 1/20 0.35
▸ LGALS8 O00214 1/20 0.35

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
SCHEMBL10017441 0.90 LGALS9 (0.38) LGALS9LGALS1LGALS3LGALS7; LGALS7BGAA
SCHEMBL12973185 0.87 ALDH1A1 (0.48) GAAALDH1A1POLBTSHRSLC6A2
SCHEMBL13607677 0.87 ALDH1A1 (0.48) GAAALDH1A1POLBTSHRSLC6A2
SCHEMBL18521255 0.87 ALDH1A1 (0.48) GAAALDH1A1POLBTSHRSLC6A2
SCHEMBL4155253 0.85 LGALS9 (0.47) LGALS9LGALS1LGALS3LGALS7; LGALS7BRNASE1
SCHEMBL15849800 0.82 ALDH1A1 (0.35) LGALS9LGALS1LGALS3LGALS7; LGALS7BGAA
SCHEMBL10017427 0.82 ALDH1A1 (0.35) LGALS9LGALS1LGALS3LGALS7; LGALS7BGAA
SCHEMBL13848178 0.82 ALDH1A1 (0.35) LGALS9LGALS1LGALS3LGALS7; LGALS7BGAA
SCHEMBL13192007 0.82 LGALS3 (0.44) LGALS9LGALS1LGALS3LGALS7; LGALS7BRNASE1
SCHEMBL4331132 0.79 LGALS3 (0.44) LGALS9LGALS1LGALS3LGALS7; LGALS7BRNASE1

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
US-8193339-B2 Synthesis of β-nucleosides PHARMAESSENTIA CORP. (TW) 2012-06-05 — — US disclosed
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