SCHEMBL28121996

SCHEMBL28121996

O=C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@@]1(O)F)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LGALS9 O00182 5/20 0.50
▸ LGALS1 P09382 5/20 0.50
▸ LGALS3 P17931 5/20 0.50
▸ LGALS7; LGALS7B P47929 4/20 0.50
▸ MAOB P27338 1/20 0.38
▸ LGALS8 O00214 2/20 0.38
▸ RNASE1 P07998 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ PTPN1 P18031 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ F2 P00734 1/20 0.35
▸ LMNA P02545 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
SCHEMBL28778989 0.86 LGALS9 (0.52) LGALS9LGALS1LGALS3LGALS7; LGALS7BMAOB
SCHEMBL27935633 0.84 LGALS9 (0.50) LGALS9LGALS1LGALS3LGALS7; LGALS7BMAOB
SCHEMBL5681904 0.84 LGALS9 (0.50) LGALS9LGALS1LGALS3LGALS7; LGALS7BMAOB
SCHEMBL19636695 0.82 LGALS9 (0.51) LGALS9LGALS1LGALS3LGALS7; LGALS7BMAOB
SCHEMBL4155253 0.81 LGALS9 (0.47) LGALS9LGALS1LGALS3LGALS7; LGALS7BMAOB
SCHEMBL29617526 0.78 ALDH1A1 (0.46) LGALS9LGALS1LGALS3LGALS7; LGALS7BTDP1
SCHEMBL2932130 0.78 ALDH1A1 (0.46) LGALS9LGALS1LGALS3LGALS7; LGALS7BTDP1
SCHEMBL2932127 0.78 ALDH1A1 (0.46) LGALS9LGALS1LGALS3LGALS7; LGALS7BTDP1
SCHEMBL8369357 0.75 LGALS3 (0.47) LGALS9LGALS1LGALS3LGALS7; LGALS7BMAOB
SCHEMBL4331132 0.74 LGALS3 (0.44) LGALS9LGALS1LGALS3LGALS7; LGALS7BLGALS8

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-106397518-A Method for synthesizing clofarabine 武汉百科药物开发有限公司 2017-02-15 — — CN disclosed
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