SCHEMBL6553247

SCHEMBL6553247

CC(=O)OC[C@H]1OC(O)[C@H](N2C(=O)c3ccccc3C2=O)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TNF P01375 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ LMNA P02545 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ MAPK1 P28482 2/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ TACR2 P21452 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ NT5E P21589 1/20 0.38
▸ BCHE P06276 1/20 0.37
▸ LGALS3 P17931 1/20 0.36
▸ IDO1 P14902 1/20 0.36
▸ GSTP1 P09211 2/20 0.36
▸ PTPN1 P18031 1/20 0.36
▸ CDC25B P30305 1/20 0.36

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
SCHEMBL6553250 1.00 TNF (0.42) TNFTSHRLMNAALDH1A1KMT2A
SCHEMBL8398623 0.93 LGALS3 (0.39) TNFTSHRLMNAALDH1A1KMT2A
SCHEMBL8398629 0.93 LGALS3 (0.39) TNFTSHRLMNAALDH1A1KMT2A
SCHEMBL6553532 0.89 TSHR (0.41) TNFTSHRLMNAALDH1A1KMT2A
SCHEMBL6553528 0.89 TSHR (0.41) TNFTSHRLMNAALDH1A1KMT2A
SCHEMBL26101393 0.87 NT5E (0.44) TNFTSHRLMNAMAPK1TACR2
SCHEMBL8831490 0.86 LMNA (0.41) TNFTSHRLMNAALDH1A1KMT2A
SCHEMBL4165970 0.84 NT5E (0.41) TNFTACR2NT5EBCHELGALS3
SCHEMBL4178413 0.84 TSHR (0.54) TSHRLMNAKMT2APTPN1
SCHEMBL16328963 0.84 TSHR (0.54) TSHRLMNAKMT2APTPN1

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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