SCHEMBL17385044

SCHEMBL17385044

CC(=O)c1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C=O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 3/20 0.56
▸ MEN1 O00255 2/20 0.56
▸ POLB P06746 2/20 0.56
▸ KMT2A Q03164 2/20 0.56
▸ ATM Q13315 1/20 0.56
▸ PLEC Q15149 1/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ ALPL P05186 1/20 0.53
▸ ALPI P09923 1/20 0.53
▸ ALPG P10696 1/20 0.53
▸ GNG2 P59768 1/20 0.46
▸ GNB1 P62873 1/20 0.46
▸ CA9 Q16790 12/20 0.45
▸ CA1 P00915 10/20 0.45
▸ CA2 P00918 10/20 0.45
▸ DNASE1L3 Q13609 1/20 0.45
▸ PRMT1 Q99873 1/20 0.45
▸ CA12 O43570 3/20 0.43
▸ CDC25A P30304 1/20 0.43
▸ CDC25B P30305 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
SCHEMBL13062763 0.89 USP2 (0.53) USP2MEN1POLBKMT2AATM
SCHEMBL14093812 0.86 USP2 (0.59) USP2MEN1POLBKMT2AATM
SCHEMBL13881039 0.85 USP2 (0.64) USP2MEN1POLBKMT2AATM
SCHEMBL14148863 0.84 USP2 (0.60) USP2MEN1POLBKMT2AATM
SCHEMBL173061 0.84 USP2 (0.73) USP2MEN1POLBKMT2AATM
SCHEMBL2790042 0.83 MEN1 (0.68) USP2MEN1POLBKMT2AATM
SCHEMBL12061907 0.83 USP2 (0.66) USP2MEN1POLBKMT2AATM
SCHEMBL14252410 0.82 USP2 (0.55) USP2MEN1POLBKMT2AATM
SCHEMBL13211048 0.82 USP2 (0.55) USP2MEN1POLBKMT2AATM
SCHEMBL13436012 0.82 USP2 (0.52) USP2MEN1POLBKMT2AATM

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
WO-2015195240-A1 GRP78 TARGETED CONJUGATES UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2015-12-23 — — WO disclosed
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