SCHEMBL5319950

SCHEMBL5319950

C=CCO[C@H]1O[C@H](COC(=O)c2ccccc2)[C@@H](F)[C@H](OC(=O)c2ccccc2)[C@@H]1NC(C)=O

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ POLB P06746 3/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ CYP3A4 P08684 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ PTPN1 P18031 2/20 0.36
▸ GAPDH P04406 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA9 Q16790 1/20 0.33

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
SCHEMBL5319948 1.00 LMNA (0.43) LMNAKMT2APOLBALDH1A1MEN1
SCHEMBL19613777 0.90 LMNA (0.44) LMNAKMT2APOLBALDH1A1MEN1
SCHEMBL20741833 0.86 PTPN1 (0.43) LMNAKMT2APOLBALDH1A1MEN1
SCHEMBL7889307 0.84 LMNA (0.44) LMNAKMT2APOLBALDH1A1
SCHEMBL5322879 0.83 POLB (0.43) LMNAKMT2APOLBALDH1A1MEN1
SCHEMBL5320321 0.83 POLB (0.43) LMNAKMT2APOLBALDH1A1MEN1
SCHEMBL14436494 0.83 POLB (0.43) LMNAKMT2APOLBALDH1A1MEN1
SCHEMBL5320327 0.83 POLB (0.43) LMNAKMT2APOLBALDH1A1MEN1
SCHEMBL14819156 0.82 LGALS3 (0.50) POLB
SCHEMBL14819208 0.82 LGALS3 (0.50) POLB

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
WO-2007093769-A1 OLIGOSACCHARIDE BIOSYNTHESIS INHIBITORS ISIS INNOVATION LIMITED (GB) 2007-08-23 — — WO disclosed
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