SCHEMBL12476676

SCHEMBL12476676

COc1ccc(C(N[C@@H](CCCCN)C(=O)Nc2ccc(COC(=O)Oc3ccc([N+](=O)[O-])cc3)cc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SSTR3 P32745 1/20 0.49
▸ ALDH1A1 P00352 3/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ HTR2A P28223 1/20 0.45
▸ PDF Q9HBH1 1/20 0.43
▸ GAA P10253 1/20 0.42
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ LMNA P02545 1/20 0.41
▸ LTA4H P09960 1/20 0.41
▸ PRSS1 P07477 1/20 0.39
▸ PRSS2 P07478 1/20 0.39
▸ PRSS3 P35030 1/20 0.39
▸ TPSAB1 Q15661 1/20 0.39
▸ HDAC8 Q9BY41 2/20 0.39
▸ HDAC2 Q92769 2/20 0.38
▸ HDAC3 O15379 1/20 0.38
▸ HDAC4 P56524 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38

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
SCHEMBL12476680 0.88 HTR2A (0.45) SSTR3ALDH1A1MAPK1L3MBTL1HTR2A
SCHEMBL18102693 0.81 SSTR3 (0.51) SSTR3PRSS1PRSS2PRSS3HDAC8
SCHEMBL12475982 0.81 ALDH1A1 (0.47) SSTR3ALDH1A1MAPK1L3MBTL1HTR2A
SCHEMBL12476207 0.81 ALDH1A1 (0.47) SSTR3ALDH1A1MAPK1L3MBTL1HTR2A
SCHEMBL15702069 0.80 SSTR3 (0.51) SSTR3ALDH1A1MAPK1L3MBTL1HTR2A
SCHEMBL18788630 0.80 SSTR3 (0.65) SSTR3HTR2APDFLTA4HPRSS1
SCHEMBL18788631 0.80 SSTR3 (0.65) SSTR3HTR2APDFLTA4HPRSS1
SCHEMBL15810831 0.79 LTA4H (0.57) SSTR3ALDH1A1MAPK1L3MBTL1HTR2A
SCHEMBL15702064 0.79 SSTR3 (0.52) SSTR3ALDH1A1MAPK1L3MBTL1HDAC8
SCHEMBL16599524 0.79 HTR2A (0.52) SSTR3ALDH1A1MAPK1L3MBTL1HTR2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2658981-A1 SMALL MOLECULE CONJUGATES FOR INTRACELLULAR DELIVERY OF NUCLEIC ACIDS F.HOFFMANN-LA ROCHE AG (CH) 2013-11-06 — — EP disclosed
WO-2012089352-A1 SMALL MOLECULE CONJUGATES FOR INTRACELLULAR DELIVERY OF NUCLEIC ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2012-07-05 — — WO disclosed
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