SCHEMBL9547949

SCHEMBL9547949

CC1(C)O[C@H]2O[C@H]([C@@H](O)COCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2O1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.56
MEN1 O00255 2/20 0.56
HTT P42858 1/20 0.48
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
THPO P40225 1/20 0.47
ALDH1A1 P00352 2/20 0.46
POLB P06746 1/20 0.46
HPGD P15428 1/20 0.46
ATM Q13315 1/20 0.46
CA1 P00915 3/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
HIF1A Q16665 1/20 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
SCHEMBL11357633 0.91 MEN1 (0.59) KMT2AMEN1HTTLMNACYP1A2
SCHEMBL22236573 0.89 MEN1 (0.70) KMT2AMEN1HTTLMNACYP1A2
SCHEMBL21135338 0.89 MEN1 (0.70) KMT2AMEN1HTTLMNACYP1A2
SCHEMBL21963659 0.89 MEN1 (0.70) KMT2AMEN1HTTLMNACYP1A2
SCHEMBL24772408 0.89 MEN1 (0.70) KMT2AMEN1HTTLMNACYP1A2
SCHEMBL23969062 0.89 MEN1 (0.70) KMT2AMEN1HTTLMNACYP1A2
SCHEMBL24063582 0.89 MEN1 (0.70) KMT2AMEN1HTTLMNACYP1A2
SCHEMBL23990344 0.89 MEN1 (0.70) KMT2AMEN1HTTLMNACYP1A2
SCHEMBL22335649 0.89 MEN1 (0.70) KMT2AMEN1HTTLMNACYP1A2
SCHEMBL13495796 0.89 MEN1 (0.70) KMT2AMEN1HTTLMNACYP1A2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5248779-A Synthesis of nojirimycin derivatives MONSANTO COMPANY (US) 1993-09-28 US disclosed
US-5200523-A Synthesis of nojirimycin derivatives MONSANTO COMPANY (US) 1993-04-06 US disclosed