SCHEMBL14304830

SCHEMBL14304830

CC(=O)OCC1O[C@@H](OC(C)=O)C(NC(=O)CCCN)C(OC(C)=O)[C@H]1OC(C)=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.62
▸ KMT2A Q03164 1/20 0.52
▸ POLB P06746 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ CYP2D6 P10635 1/20 0.47
▸ THRB P10828 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ TGM2 P21980 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ CA2 P00918 9/20 0.46
▸ CA12 O43570 8/20 0.46
▸ CA1 P00915 8/20 0.46
▸ CA9 Q16790 8/20 0.46
▸ TLR4 O00206 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ PRKCA P17252 1/20 0.42
▸ AKT1 P31749 1/20 0.42

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
SCHEMBL30718114 0.89 LMNA (0.63) LMNAKMT2APOLBALDH1A1CYP2D6
SCHEMBL25716867 0.88 LMNA (0.67) LMNAKMT2APOLBALDH1A1CYP2D6
SCHEMBL20788116 0.87 LMNA (0.61) LMNAKMT2APOLBALDH1A1CYP2D6
SCHEMBL15333976 0.87 LMNA (0.61) LMNAKMT2APOLBALDH1A1CYP2D6
SCHEMBL30032874 0.87 LMNA (0.65) LMNAKMT2APOLBALDH1A1CYP2D6
SCHEMBL21058368 0.87 LMNA (0.65) LMNAKMT2APOLBALDH1A1CYP2D6
SCHEMBL21138671 0.87 LMNA (0.65) LMNAKMT2APOLBALDH1A1CYP2D6
SCHEMBL25957762 0.87 LMNA (0.65) LMNAKMT2APOLBALDH1A1CYP2D6
SCHEMBL9524271 0.84 CA1 (0.49) LMNAKMT2APOLBALDH1A1CYP2D6
SCHEMBL9735191 0.84 CA1 (0.49) LMNAKMT2APOLBALDH1A1CYP2D6

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-2008007153-A2 ANTIVIRAL COMPOUNDS IQUR LTD. (GB) 2008-01-17 — — WO disclosed
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