SCHEMBL19674472

SCHEMBL19674472

CCCCO[C@H]1[C@H](O)C(C(=O)OC)OC(O[C@@H]2C(COC(=O)c3ccccc3)O[C@H](OC)C(N=[N+]=[N-])[C@H]2OCCCC)[C@H]1OC(=O)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TNF P01375 2/20 0.35
▸ MEN1 O00255 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ PAX8 Q06710 1/20 0.33
▸ LGALS3 P17931 1/20 0.33
▸ PTPN1 P18031 11/20 0.33
▸ ANTXR2 P58335 1/20 0.32
▸ PTPN2 P17706 2/20 0.32
▸ PTPN6 P29350 2/20 0.32
▸ PTPN11 Q06124 2/20 0.32
▸ FGF2 P09038 1/20 0.32
▸ MDK P21741 1/20 0.32
▸ HRAS P01112 1/20 0.32

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
SCHEMBL14817729 1.00 TNF (0.35) TNFMEN1USP2POLBKMT2A
SCHEMBL15296523 1.00 TNF (0.35) TNFMEN1USP2POLBKMT2A
SCHEMBL14817682 1.00 TNF (0.35) TNFMEN1USP2POLBKMT2A
SCHEMBL15171149 1.00 TNF (0.35) TNFMEN1USP2POLBKMT2A
SCHEMBL15171214 1.00 TNF (0.35) TNFMEN1USP2POLBKMT2A
SCHEMBL16623000 0.94 TNF (0.34) TNFMEN1USP2POLBKMT2A
SCHEMBL19674487 0.94 TNF (0.34) TNFMEN1USP2POLBKMT2A
SCHEMBL16623022 0.94 TNF (0.34) TNFMEN1USP2POLBKMT2A
SCHEMBL19674482 0.94 TNF (0.34) TNFMEN1USP2POLBKMT2A
SCHEMBL14900299 0.94 LGALS3 (0.32) TNFPAX8LGALS3PTPN1PTPN2

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
EP-2857411-B1 METHOD FOR PREPARING FULLY PROTECTION HEPARIN PENTASACCHARIDE AND INTERMEDIATE THEREOF ZHEJIANG HISUN PHARM CO LTD (CN) 2017-12-06 — — EP disclosed
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