SCHEMBL17975737

SCHEMBL17975737

O=C(OCC1OC(C(=O)O)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 2/20 0.55
▸ POLB P06746 2/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ PTPN1 P18031 4/20 0.50
▸ CA1 P00915 2/20 0.47
▸ CA2 P00918 2/20 0.47
▸ CA9 Q16790 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.46
▸ LGALS9 O00182 1/20 0.45
▸ LGALS1 P09382 1/20 0.45
▸ LGALS3 P17931 1/20 0.45
▸ LGALS7; LGALS7B P47929 1/20 0.45
▸ PTPN2 P17706 1/20 0.44
▸ PTPN11 Q06124 1/20 0.44
▸ GAPDH P04406 2/20 0.44
▸ TSHR P16473 1/20 0.44
▸ MAPK1 P28482 2/20 0.43
▸ TMPRSS2 O15393 1/20 0.43
▸ PDE5A O76074 1/20 0.43

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
SCHEMBL2418301 1.00 USP2 (0.55) USP2POLBMEN1KMT2APTPN1
SCHEMBL4732553 1.00 USP2 (0.55) USP2POLBMEN1KMT2APTPN1
SCHEMBL6399736 1.00 USP2 (0.55) USP2POLBMEN1KMT2APTPN1
SCHEMBL11438817 0.89 USP2 (0.53) USP2POLBMEN1KMT2APTPN1
SCHEMBL8946366 0.89 USP2 (0.53) USP2POLBMEN1KMT2APTPN1
SCHEMBL26358941 0.87 USP2 (0.51) USP2POLBMEN1KMT2APTPN1
SCHEMBL6402165 0.87 USP2 (0.51) USP2POLBMEN1KMT2APTPN1
SCHEMBL7152895 0.85 USP2 (0.54) USP2POLBMEN1KMT2APTPN1
SCHEMBL17326916 0.84 PTPN1 (0.68) USP2POLBMEN1KMT2APTPN1
SCHEMBL12154605 0.84 PTPN1 (0.68) USP2POLBMEN1KMT2APTPN1

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-2367837-B1 1'-SUBSTITUTED RIBOSE 5'-POLYPHOSPHATE ANALOGS AND THEIR USE AS MODULATORS OF P2Y RECEPTOR ACTIVITY MICRODOSE THERAPEUTX INC (US) 2016-08-17 — — EP disclosed
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