SCHEMBL17850325

SCHEMBL17850325

B=BO[C@H]1C(COC(=O)c2ccccc2)O[C@@H](OC)[C@@H](NC(C)=O)C1OC(=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ POLB P06746 3/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ USP2 O75604 1/20 0.42
▸ MMP12 P39900 3/20 0.41
▸ MMP9 P14780 2/20 0.41
▸ PTPN1 P18031 4/20 0.39
▸ CYP3A4 P08684 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ LGALS3 P17931 3/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ LGALS1 P09382 1/20 0.36
▸ LGALS7; LGALS7B P47929 1/20 0.36
▸ PTPN2 P17706 1/20 0.36
▸ PTPN11 Q06124 1/20 0.36

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
SCHEMBL17850324 0.92 KMT2A (0.41) LMNAKMT2APOLBALDH1A1MEN1
SCHEMBL15592369 0.91 LMNA (0.57) LMNAKMT2APOLBALDH1A1MEN1
SCHEMBL13447781 0.91 LMNA (0.57) LMNAKMT2APOLBALDH1A1MEN1
SCHEMBL13250764 0.91 LMNA (0.57) LMNAKMT2APOLBALDH1A1MEN1
SCHEMBL17850343 0.91 LMNA (0.57) LMNAKMT2APOLBALDH1A1MEN1
SCHEMBL17850294 0.91 LMNA (0.57) LMNAKMT2APOLBALDH1A1MEN1
SCHEMBL17850326 0.85 PTPN1 (0.49) KMT2APOLBALDH1A1MEN1USP2
SCHEMBL14437199 0.84 LMNA (0.59) LMNAKMT2APOLBALDH1A1MEN1
SCHEMBL5321405 0.84 LMNA (0.59) LMNAKMT2APOLBALDH1A1MEN1
SCHEMBL13412970 0.81 LMNA (0.54) LMNAKMT2APOLBALDH1A1MEN1

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-3034510-A1 OLIGONUCLEOTIDES COMPRISING A C5-MODIFIED PYRIMIDINE Alnylam Pharmaceuticals Inc. (US) 2016-06-22 — — EP disclosed
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