SCHEMBL16509797

SCHEMBL16509797

CC(=O)NC1C(OC(C)=O)[C@H](OC(C)=O)C(COC(C)=O)O[C@H]1O[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ ALDH1A1 P00352 3/20 0.47
▸ POLB P06746 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.43
▸ CYP3A4 P08684 2/20 0.42
▸ MAPT P10636 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ MMP12 P39900 3/20 0.41
▸ CYP2D6 P10635 2/20 0.39
▸ THRB P10828 2/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ MMP9 P14780 2/20 0.37
▸ TSHR P16473 1/20 0.36
▸ TGM2 P21980 1/20 0.36
▸ CA1 P00915 5/20 0.35
▸ CA2 P00918 5/20 0.35
▸ CA9 Q16790 5/20 0.35
▸ CA12 O43570 4/20 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
SCHEMBL13694948 1.00 LMNA (0.49) LMNAKMT2AALDH1A1POLBKDM4E
SCHEMBL13694947 0.87 LMNA (0.57) LMNAKMT2AALDH1A1POLBKDM4E
SCHEMBL16509798 0.87 LMNA (0.57) LMNAKMT2AALDH1A1POLBKDM4E
SCHEMBL17287141 0.83 LMNA (0.51) LMNAKMT2AALDH1A1POLBKDM4E
SCHEMBL17287140 0.83 LMNA (0.51) LMNAKMT2AALDH1A1POLBKDM4E
SCHEMBL23077722 0.83 LMNA (0.51) LMNAKMT2AALDH1A1POLBKDM4E
SCHEMBL1737712 0.81 LMNA (0.53) LMNAKMT2AALDH1A1POLBKDM4E
SCHEMBL15910280 0.81 LMNA (0.53) LMNAKMT2AALDH1A1POLBKDM4E
SCHEMBL14031247 0.81 LMNA (0.56) LMNAKMT2AALDH1A1POLBKDM4E
SCHEMBL14049596 0.81 LMNA (0.56) LMNAKMT2AALDH1A1POLBKDM4E

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-8076299-B2 Method for producing peptide thioester RIKEN (JP) 2011-12-13 — — US disclosed
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