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Sugi Predict / Compounds / SCHEMBL18296604

SCHEMBL18296604

SCHEMBL18296604

O=C(OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC[C@H]3OC(O)[C@H](OC(=O)c4ccccc4)[C@@H](OC(=O)c4ccccc4)[C@@H]3OC(=O)c3ccccc3)[C@H](OC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@@H]2OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 5/20 0.52
▸ USP2 O75604 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ F11 P03951 2/20 0.47
▸ CA1 P00915 2/20 0.47
▸ CA2 P00918 2/20 0.47
▸ TMPRSS2 O15393 1/20 0.47
▸ PDE5A O76074 1/20 0.47
▸ HMGCR P04035 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ LCK P06239 1/20 0.47
▸ FYN P06241 1/20 0.47
▸ HSPD1 P10809 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CA6 P23280 1/20 0.47
▸ TBXAS1 P24557 1/20 0.47
▸ MAPK3 P27361 1/20 0.47
▸ MAPK1 P28482 1/20 0.47

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
SCHEMBL18296702 1.00 PTPN1 (0.52) PTPN1USP2MEN1POLBKMT2A
SCHEMBL18654280 1.00 PTPN1 (0.52) PTPN1USP2MEN1POLBKMT2A
SCHEMBL20256018 0.96 PTPN1 (0.48) PTPN1USP2MEN1POLBKMT2A
SCHEMBL21651039 0.96 PTPN1 (0.48) PTPN1USP2MEN1POLBKMT2A
SCHEMBL18654281 0.96 PTPN1 (0.48) PTPN1USP2MEN1POLBKMT2A
SCHEMBL17241572 0.95 PTPN1 (0.47) PTPN1USP2MEN1POLBKMT2A
SCHEMBL17241570 0.95 PTPN1 (0.47) PTPN1USP2MEN1POLBKMT2A
SCHEMBL18650701 0.93 PTPN1 (0.46) PTPN1USP2MEN1POLBKMT2A
SCHEMBL20226177 0.92 PTPN1 (0.44) PTPN1USP2MEN1POLBKMT2A
SCHEMBL18650683 0.92 PTPN1 (0.44) PTPN1USP2MEN1POLBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018106644-A1 ß-1,6-GLUCAN TRASTUZUMAB ANTIBODY CONJUGATES INNATE BIOTHERAPEUTICS, LLC (US) 2018-06-14 — — WO disclosed
WO-2018106645-A1 β-1,6-GLUCAN THERAPEUTIC ANTIBODY CONJUGATES INNATE BIOTHERAPEUTICS, LLC (US) 2018-06-14 — — WO disclosed
US-20170081428-A1 IMMUNOMODULATING BETA-1,6-D-GLUCANS INNATE BIOTHERAPEUTICS, LLC 2017-03-23 — — US disclosed
WO-2016196682-A1 β-1,6-GLUCAN CETUXIMAB ANTIBODY CONJUGATES IMMUNEXCITE, INC. (US) 2016-12-08 — — WO disclosed