SCHEMBL16153115

SCHEMBL16153115

CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc(C(=O)NCCOCCOc3ccc(CCN)cc3)ccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSTP1 P09211 1/20 0.55
▸ MAPT P10636 2/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ USP2 O75604 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ KCNH2 Q12809 3/20 0.47
▸ CYP3A4 P08684 1/20 0.40
▸ ALB P02768 1/20 0.39
▸ RAB9A P51151 5/20 0.38
▸ NPC1 O15118 4/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ CRBN Q96SW2 1/20 0.38
▸ TTR P02766 1/20 0.38
▸ TP53 P04637 1/20 0.37
▸ NFKB1 P19838 1/20 0.37
▸ NFKB2 Q00653 1/20 0.37
▸ RELA Q04206 1/20 0.37

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
SCHEMBL4437792 0.93 GSTP1 (0.59) GSTP1MAPTMEN1KMT2AUSP2
SCHEMBL31343967 0.85 GSTP1 (0.58) GSTP1MAPTMEN1KMT2AUSP2
SCHEMBL17970190 0.82 KMT2A (0.66) GSTP1MAPTMEN1KMT2AUSP2
SCHEMBL22434379 0.80 MEN1 (0.62) GSTP1MAPTMEN1KMT2AUSP2
SCHEMBL13435046 0.79 KMT2A (0.53) GSTP1MAPTMEN1KMT2AUSP2
SCHEMBL22197942 0.78 FTO (0.53) MAPTMEN1KMT2AHTTKCNH2
SCHEMBL29388062 0.78 MEN1 (0.59) GSTP1MAPTMEN1KMT2AUSP2
SCHEMBL19431854 0.77 GSTP1 (0.47) GSTP1MAPTMEN1KMT2AUSP2
SCHEMBL23599906 0.75 FTO (0.51) MAPTMEN1KMT2AHTTKCNH2
SCHEMBL19607558 0.75 KCNH2 (0.47) GSTP1MAPTMEN1KMT2AUSP2

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-1782071-B1 COVALENT TETHERING OF FUNCTIONAL GROUPS TO PROTEINS AND SUBSTRATES THEREFOR PROMEGA CORP (US) 2014-10-08 — — EP disclosed
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