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SCHEMBL8952353

SCHEMBL8952353

O=C(OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[C@H]3[C@@H](O[C@]4(COC(=O)c5ccc(Br)cc5)O[C@H](COC(=O)c5ccc(Br)cc5)[C@@H](OC(=O)c5ccc(Br)cc5)[C@@H]4OC(=O)c4ccc(Br)cc4)O[C@H](COC(=O)c4ccc(Br)cc4)[C@@H](OC(=O)c4ccc(Br)cc4)[C@@H]3OC(=O)c3ccc(Br)cc3)[C@H](OC(=O)c3ccc(Br)cc3)[C@@H](OC(=O)c3ccc(Br)cc3)[C@H]2OC(=O)c2ccc(Br)cc2)[C@H](OC(=O)c2ccc(Br)cc2)[C@@H](OC(=O)c2ccc(Br)cc2)[C@H]1OC(=O)c1ccc(Br)cc1)c1ccc(Br)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 4/20 0.43
▸ ANTXR2 P58335 3/20 0.41
▸ PTPN2 P17706 1/20 0.40
▸ PTPN11 Q06124 1/20 0.40
▸ MAPT P10636 1/20 0.39
▸ F11 P03951 2/20 0.37
▸ USP2 O75604 2/20 0.37
▸ CA1 P00915 2/20 0.37
▸ CA2 P00918 2/20 0.37
▸ CYP2C9 P11712 2/20 0.37
▸ TMPRSS2 O15393 1/20 0.37
▸ PDE5A O76074 1/20 0.37
▸ HMGCR P04035 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ LCK P06239 1/20 0.37
▸ FYN P06241 1/20 0.37
▸ HSPD1 P10809 1/20 0.37
▸ CA6 P23280 1/20 0.37
▸ TBXAS1 P24557 1/20 0.37
▸ MAPK3 P27361 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
SCHEMBL22774113 0.88 MAPT (0.46) PTPN1ANTXR2PTPN2PTPN11MAPT
SCHEMBL14906687 0.84 MAPT (0.49) PTPN1ANTXR2PTPN2PTPN11MAPT
SCHEMBL343136 0.84 MAPT (0.49) PTPN1ANTXR2PTPN2PTPN11MAPT
SCHEMBL10310585 0.84 MAPT (0.49) PTPN1ANTXR2PTPN2PTPN11MAPT
SCHEMBL14903566 0.84 MAPT (0.49) PTPN1ANTXR2PTPN2PTPN11MAPT
SCHEMBL10310560 0.84 MAPT (0.49) PTPN1ANTXR2PTPN2PTPN11MAPT
SCHEMBL14680922 0.83 MAPT (0.50) PTPN1ANTXR2PTPN2PTPN11MAPT
SCHEMBL14679917 0.83 MAPT (0.50) PTPN1ANTXR2PTPN2PTPN11MAPT
SCHEMBL22774330 0.81 MAPT (0.41) PTPN1MAPTF11USP2ELANE
SCHEMBL20724710 0.78 MAPT (0.46) PTPN1ANTXR2PTPN2PTPN11MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5492836-A PERBENZOYLATION; CLEAVAGE BY CONTACTING WITH BROMOACETYL BROMIDE/WATER; GLYCOSIDATION; METHOXYCINNAMOYLATION; ANALYZING RESULTING BENZOATES THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 1996-02-20 — — US disclosed
WO-1991007649-A1 METHOD FOR DETERMINING THE STRUCTURE OF OLIGOSACCHARIDE LINKAGES AND AUTOMATED INSTRUMENTATION THEREFOR THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 1991-05-30 — — WO disclosed
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