SCHEMBL17934500

SCHEMBL17934500

CCc1ccc(/C=C2\SC(=O)N(CCNC(=O)OC(C)(C)C)C2=O)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MYC P01106 3/20 0.64
▸ MAPT P10636 4/20 0.56
▸ LMNA P02545 3/20 0.56
▸ MAX P61244 2/20 0.54
▸ NPC1 O15118 3/20 0.52
▸ RAB9A P51151 3/20 0.52
▸ SMN1; SMN2 Q16637 3/20 0.52
▸ NFKB1 P19838 1/20 0.49
▸ NFKB2 Q00653 1/20 0.49
▸ RELA Q04206 1/20 0.49
▸ PPARG P37231 3/20 0.47
▸ AKR1B1 P15121 2/20 0.47
▸ GAA P10253 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ KMT2A Q03164 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
SCHEMBL346075 0.93 MYC (0.75) MYCMAPTLMNAMAXNPC1
SCHEMBL346076 0.93 MYC (0.75) MYCMAPTLMNAMAXNPC1
SCHEMBL346013 0.92 MYC (0.77) MYCMAPTLMNAMAXNPC1
SCHEMBL346014 0.92 MYC (0.77) MYCMAPTLMNAMAXNPC1
SCHEMBL17934348 0.91 MYC (0.59) MYCMAPTLMNAMAXNPC1
SCHEMBL346448 0.87 MYC (0.69) MYCMAXNPC1RAB9ASMN1; SMN2
SCHEMBL346449 0.87 MYC (0.69) MYCMAXNPC1RAB9ASMN1; SMN2
SCHEMBL346081 0.86 MYC (0.70) MYCMAPTLMNAMAXNPC1
SCHEMBL346080 0.86 MYC (0.70) MYCMAPTLMNAMAXNPC1
SCHEMBL17927295 0.86 MYC (0.70) MYCMAPTLMNAMAXNPC1

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-2016115360-A1 C-MYC LIGANDS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME COFERON, INC. (US) 2016-07-21 — — WO disclosed
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