SCHEMBL15095554

SCHEMBL15095554

CC(=O)/C=C\N(C(C)=O)[C@@H]1O[C@H](COC(=O)c2ccccc2)C(OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 2/20 0.45
▸ POLB P06746 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ PTPN1 P18031 4/20 0.40
▸ TSHR P16473 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ CA1 P00915 2/20 0.40
▸ CA2 P00918 2/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ GAPDH P04406 2/20 0.39
▸ MMP12 P39900 2/20 0.39
▸ HRAS P01112 1/20 0.37
▸ LGALS9 O00182 1/20 0.36
▸ LGALS1 P09382 1/20 0.36
▸ LGALS3 P17931 1/20 0.36
▸ LGALS7; LGALS7B P47929 1/20 0.36
▸ PTPN2 P17706 1/20 0.36
▸ PTPN11 Q06124 1/20 0.36
▸ MAPK1 P28482 2/20 0.35

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
SCHEMBL17612285 0.92 POLB (0.41) USP2POLBMEN1KMT2APTPN1
SCHEMBL16377091 0.77 ALDH1A1 (0.41) USP2POLBMEN1KMT2APTPN1
SCHEMBL11438817 0.75 USP2 (0.53) USP2POLBMEN1KMT2APTPN1
SCHEMBL17975737 0.75 USP2 (0.55) USP2POLBMEN1KMT2APTPN1
SCHEMBL21754836 0.75 USP2 (0.55) USP2POLBMEN1KMT2APTPN1
SCHEMBL18474917 0.75 USP2 (0.55) USP2POLBMEN1KMT2APTPN1
SCHEMBL19619197 0.75 USP2 (0.55) USP2POLBMEN1KMT2APTPN1
SCHEMBL21754881 0.75 USP2 (0.55) USP2POLBMEN1KMT2APTPN1
SCHEMBL12222446 0.75 USP2 (0.55) USP2POLBMEN1KMT2APTPN1
SCHEMBL12300564 0.75 USP2 (0.55) 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
US-8481713-B2 Preparation of alkyl-substituted 2-deoxy-2-fluoro-D-ribofuranosyl pyrimidines and purines and their derivatives GILEAD PHARMASSET LLC (US) 2013-07-09 — — US disclosed
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