SCHEMBL14900299

SCHEMBL14900299

BOCC1O[C@H](OC)C(N=[N+]=[N-])C(OCCCC)[C@@H]1O[C@@H]1OC(C(=O)OC)[C@@H](O)C(OCCCC)C1OC(=O)c1ccccc1

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ LGALS3 P17931 4/20 0.32
▸ PTPN1 P18031 11/20 0.32
▸ PTPN2 P17706 2/20 0.32
▸ PTPN6 P29350 2/20 0.32
▸ PTPN11 Q06124 2/20 0.32
▸ LGALS1 P09382 2/20 0.31
▸ LGALS9 O00182 1/20 0.31
▸ LGALS7; LGALS7B P47929 1/20 0.31
▸ LGALS4 P56470 1/20 0.31
▸ TNF P01375 1/20 0.31
▸ FGF2 P09038 1/20 0.30
▸ MDK P21741 1/20 0.30
▸ PAX8 Q06710 1/20 0.30

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
SCHEMBL15296523 0.94 TNF (0.35) LGALS3PTPN1PTPN2PTPN6PTPN11
SCHEMBL14817682 0.94 TNF (0.35) LGALS3PTPN1PTPN2PTPN6PTPN11
SCHEMBL19674472 0.94 TNF (0.35) LGALS3PTPN1PTPN2PTPN6PTPN11
SCHEMBL15171149 0.94 TNF (0.35) LGALS3PTPN1PTPN2PTPN6PTPN11
SCHEMBL15171214 0.94 TNF (0.35) LGALS3PTPN1PTPN2PTPN6PTPN11
SCHEMBL14817729 0.94 TNF (0.35) LGALS3PTPN1PTPN2PTPN6PTPN11
SCHEMBL14864756 0.90 PTPN1 (0.32) LGALS3PTPN1LGALS1LGALS9LGALS7; LGALS7B
SCHEMBL14900320 0.88 BMP2 (0.31) TNFMDK
SCHEMBL16623000 0.88 TNF (0.34) LGALS3PTPN1PTPN2PTPN6PTPN11
SCHEMBL16623022 0.88 TNF (0.34) LGALS3PTPN1PTPN2PTPN6PTPN11

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-1440077-B1 SYNTHETIC HEPARIN PENTASACCHARIDES ALCHEMIA LTD (AU) 2013-05-01 — — EP disclosed
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