SCHEMBL6553216

SCHEMBL6553216

COc1ccc(OC[C@H]2O[C@H](Oc3ccc(OC)cc3)[C@@H](N3C(=O)c4ccccc4C3=O)[C@@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 2/20 0.41
▸ KMT2A Q03164 1/20 0.39
▸ BCHE P06276 1/20 0.38
▸ SSTR1 P30872 1/20 0.38
▸ SSTR2 P30874 1/20 0.38
▸ SSTR4 P31391 1/20 0.38
▸ SSTR3 P32745 1/20 0.38
▸ SSTR5 P35346 1/20 0.38
▸ LGALS3 P17931 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ PTPN2 P17706 1/20 0.37
▸ PTPN1 P18031 1/20 0.37
▸ RECQL P46063 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ NT5E P21589 1/20 0.35
▸ GRM2 Q14416 1/20 0.35
▸ NR1H3 Q13133 1/20 0.35
▸ CASP3 P42574 1/20 0.34

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
SCHEMBL4178365 0.90 NT5E (0.41) GRM5SSTR1SSTR2SSTR4SSTR3
SCHEMBL6553208 0.90 LGALS3 (0.46) GRM5KMT2ABCHELGALS3RAB9A
SCHEMBL6553329 0.89 CYP3A4 (0.41) KMT2ALGALS3POLBNT5E
SCHEMBL6553337 0.89 CYP3A4 (0.41) KMT2ALGALS3POLBNT5E
SCHEMBL26102300 0.88 SSTR1 (0.42) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL4169542 0.85 GRM5 (0.35) GRM5BCHESSTR1SSTR2SSTR4
SCHEMBL3756883 0.85 NT5E (0.43) KMT2APTPN2PTPN1NT5E
SCHEMBL27002581 0.85 NT5E (0.43) KMT2APTPN2PTPN1NT5E
SCHEMBL3756881 0.85 NT5E (0.43) KMT2APTPN2PTPN1NT5E
SCHEMBL3625228 0.84 LGALS3 (0.43) GRM5SSTR1SSTR2SSTR4SSTR3

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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