SCHEMBL5695029

SCHEMBL5695029

COC[C@H]1O[C@@H](OC)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 13/20 0.48
▸ LGALS3 P17931 2/20 0.46
▸ LGALS4 P56470 1/20 0.46
▸ PTPN2 P17706 3/20 0.45
▸ PTPN11 Q06124 3/20 0.45
▸ PTPN6 P29350 2/20 0.45
▸ LGALS9 O00182 1/20 0.44
▸ LGALS1 P09382 1/20 0.44
▸ LGALS7; LGALS7B P47929 1/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ USP2 O75604 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ TSHR P16473 1/20 0.40
▸ NT5E P21589 1/20 0.40
▸ SELP P16109 1/20 0.40

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
SCHEMBL5695045 1.00 PTPN1 (0.48) PTPN1LGALS3LGALS4PTPN2PTPN11
SCHEMBL5356500 1.00 PTPN1 (0.48) PTPN1LGALS3LGALS4PTPN2PTPN11
SCHEMBL5695036 1.00 PTPN1 (0.48) PTPN1LGALS3LGALS4PTPN2PTPN11
SCHEMBL5695145 1.00 PTPN1 (0.48) PTPN1LGALS3LGALS4PTPN2PTPN11
SCHEMBL5356505 1.00 PTPN1 (0.48) PTPN1LGALS3LGALS4PTPN2PTPN11
SCHEMBL16897725 0.99 PTPN1 (0.49) PTPN1LGALS3LGALS4PTPN2PTPN11
SCHEMBL13146114 0.91 PTPN1 (0.57) PTPN1LGALS3LGALS4PTPN2PTPN11
SCHEMBL22983992 0.91 PTPN1 (0.57) PTPN1LGALS3LGALS4PTPN2PTPN11
SCHEMBL22984008 0.91 PTPN1 (0.57) PTPN1LGALS3LGALS4PTPN2PTPN11
SCHEMBL5520745 0.91 PTPN1 (0.57) PTPN1LGALS3LGALS4PTPN2PTPN11

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
EP-1121372-B1 ADENINE DERIVATIVES PFIZER LTD (GB) 2006-06-28 — — EP disclosed
US-6326359-B1 PURINE DERIVATIVES PFIZER INC 2001-12-04 — — US disclosed
EP-1121372-A1 ADENINE DERIVATIVES Pfizer Limited (GB) 2001-08-08 — — EP disclosed
WO-2000023457-A1 ADENINE DERIVATIVES PFIZER LIMITED (GB) 2000-04-27 — — WO disclosed
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