SCHEMBL17080312

SCHEMBL17080312

COc1ccc(C(C(=O)c2ccccc2)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES1 P23141 2/20 0.58
▸ CES2 O00748 1/20 0.58
▸ NPC1 O15118 3/20 0.54
▸ RAB9A P51151 3/20 0.54
▸ PTGS2 P35354 1/20 0.51
▸ KCNN4 O15554 1/20 0.50
▸ KCNK9 Q9NPC2 1/20 0.49
▸ CA1 P00915 2/20 0.48
▸ CA2 P00918 2/20 0.48
▸ KIF11 P52732 3/20 0.48
▸ KDM4E B2RXH2 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ BCHE P06276 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ NFKB1 P19838 1/20 0.47
▸ NFKB2 Q00653 1/20 0.47
▸ RELA Q04206 1/20 0.47
▸ F10 P00742 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
SCHEMBL6203510 0.85 CES1 (0.56) CES1CES2NPC1RAB9APTGS2
SCHEMBL6045338 0.84 KCNN4 (0.55) CES1CES2NPC1RAB9APTGS2
SCHEMBL15519395 0.83 CES1 (0.56) CES1CES2KCNN4CA1CA2
SCHEMBL1508202 0.83 CES1 (0.56) CES1CES2KCNN4CA1CA2
SCHEMBL12260648 0.83 CES1 (0.58) CES1CES2NPC1RAB9APTGS2
SCHEMBL2316036 0.82 KCNN4 (0.53) CES1CES2NPC1RAB9APTGS2
SCHEMBL16147101 0.81 CES1 (0.56) CES1CES2NPC1RAB9APTGS2
SCHEMBL9850356 0.80 CES1 (0.54) CES1CES2NPC1RAB9APTGS2
SCHEMBL28993094 0.79 CES1 (0.53) CES1CES2NPC1RAB9APTGS2
SCHEMBL10603215 0.78 KCNN4 (0.49) CES1CES2NPC1RAB9APTGS2

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
CN-114480401-B Clofarabine modified oligonucleotide 湖南大学 2024-04-02 — — CN disclosed
CN-114480401-A Clofarabine modified oligonucleotide 湖南大学 2022-05-13 — — CN disclosed
WO-2015138868-A9 TRANS-ACTING ELEMENTS FOR INTRACELLULAR DELIVERY OF NUCLEIC ACID SEQUENCES THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH & HUMAN SERVICES (US) 2015-11-19 — — WO disclosed
WO-2015138868-A1 TRANS-ACTING ELEMENTS FOR INTRACELLULAR DELIVERY OF NUCLEIC ACID SEQUENCES THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH & HUMAN SERVICES (US) 2015-09-17 — — WO disclosed
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