SCHEMBL8712020

SCHEMBL8712020

CO[C@H]1O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1NC(=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.53
▸ KMT2A Q03164 1/20 0.52
▸ POLB P06746 2/20 0.46
▸ LGALS8 O00214 1/20 0.42
▸ MMP9 P14780 1/20 0.41
▸ MMP12 P39900 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ TSHR P16473 1/20 0.40
▸ TGM2 P21980 1/20 0.39
▸ CPB1 P15086 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ CTSS P25774 3/20 0.37
▸ CTSK P43235 3/20 0.37
▸ CTSB P07858 2/20 0.37
▸ CTSL P07711 2/20 0.37

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
SCHEMBL8538284 0.91 LMNA (0.43) LMNAKMT2APOLBLGALS8CPB1
SCHEMBL8538288 0.91 LMNA (0.43) LMNAKMT2APOLBLGALS8CPB1
SCHEMBL11322341 0.89 LMNA (0.58) LMNAKMT2APOLBLGALS8MMP9
SCHEMBL11322337 0.86 LMNA (0.54) LMNAKMT2APOLBLGALS8MMP9
SCHEMBL11325557 0.86 LMNA (0.54) LMNAKMT2APOLBLGALS8MMP9
SCHEMBL2007087 0.83 LMNA (0.76) LMNAKMT2APOLBMMP12ALDH1A1
SCHEMBL2007088 0.83 LMNA (0.76) LMNAKMT2APOLBMMP12ALDH1A1
SCHEMBL12837317 0.83 LMNA (0.76) LMNAKMT2APOLBMMP12ALDH1A1
SCHEMBL12812848 0.82 POLB (0.41) LMNAKMT2APOLBALDH1A1
SCHEMBL12812846 0.82 POLB (0.41) LMNAKMT2APOLBALDH1A1

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-5849709-A Saccharopeptides and derivatives thereof GLYCOMED INCORPORATED (US) 1998-12-15 — — US disclosed
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