SCHEMBL6553337

SCHEMBL6553337

COc1ccc(O[C@H]2O[C@H](COC(C)=O)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@@H]2N2C(=O)c3ccccc3C2=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ TP53 P04637 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ LMNA P02545 3/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ MAPT P10636 2/20 0.39
▸ CYP2D6 P10635 2/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ MAPK1 P28482 1/20 0.38
▸ POLB P06746 2/20 0.38
▸ LGALS3 P17931 1/20 0.38
▸ NT5E P21589 1/20 0.37
▸ TNF P01375 1/20 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
SCHEMBL6553329 1.00 CYP3A4 (0.41) CYP3A4KMT2AMEN1TP53CYP2C9
SCHEMBL6553216 0.89 GRM5 (0.41) KMT2APOLBLGALS3NT5E
SCHEMBL3756883 0.89 NT5E (0.43) CYP3A4KMT2AMEN1TP53CYP2C9
SCHEMBL27002581 0.89 NT5E (0.43) CYP3A4KMT2AMEN1TP53CYP2C9
SCHEMBL3756881 0.89 NT5E (0.43) CYP3A4KMT2AMEN1TP53CYP2C9
SCHEMBL5011497 0.89 CYP3A4 (0.47) CYP3A4KMT2AMEN1TP53CYP2C9
SCHEMBL6553208 0.88 LGALS3 (0.46) CYP3A4KMT2ACYP2C9ALDH1A1MAPT
SCHEMBL27002555 0.87 PTPN1 (0.40) CYP3A4KMT2AMEN1TP53CYP2C9
SCHEMBL4178365 0.86 NT5E (0.41) LGALS3NT5E
SCHEMBL2058841 0.86 CYP3A4 (0.52) CYP3A4KMT2AMEN1TP53CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1018515-B1 Oligosaccharide, method for producing it and pharmaceutical composition containing it SEIKAGAKU KOGYO CO LTD (JP) 2004-02-18 — — EP disclosed
US-6562954-B1 Oligosaccharide for use as tool in human therapeutics SEIKAGAKU CORPORATION (JP) 2003-05-13 — — US disclosed
EP-1018515-A1 Oligosaccharide, method for producing it and pharmaceutical composition containing it SEIKAGAKU CORPORATION (JP) 2000-07-12 — — EP disclosed
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