SCHEMBL19985161

SCHEMBL19985161

O=C(O)C12CC3CC(C1)CC(C(=O)Oc1c(I)cc(I)cc1I)(C3)C2

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.39
▸ GAA P10253 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ XBP1 P17861 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.37
▸ L3MBTL1 Q9Y468 3/20 0.37
▸ PKM P14618 2/20 0.37
▸ ALDH1A1 P00352 3/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ LMNA P02545 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ RBP4 P02753 1/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ HTT P42858 1/20 0.33
▸ TOP2A P11388 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ NPC1 O15118 2/20 0.32
▸ RAB9A P51151 2/20 0.32

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
SCHEMBL23518983 0.80 GAA (0.32) KMT2AGAAMAPTXBP1KDM4E
SCHEMBL19846332 0.80 NPSR1 (0.42) KMT2AGAAMAPTXBP1L3MBTL1
SCHEMBL24408976 0.77 GAA (0.30) GAAMAPTXBP1
SCHEMBL5567903 0.76 GAA (0.54) KMT2AGAAMAPTXBP1KDM4E
SCHEMBL19846281 0.75 — —
SCHEMBL27293888 0.74 KDM4E (0.35) KMT2AMAPTKDM4EL3MBTL1ALDH1A1
SCHEMBL164232 0.72 L3MBTL1 (0.58) KMT2AGAAKDM4EL3MBTL1PKM
SCHEMBL13589980 0.72 L3MBTL1 (0.58) KMT2AGAAKDM4EL3MBTL1PKM
SCHEMBL14493665 0.72 L3MBTL1 (0.58) KMT2AGAAKDM4EL3MBTL1PKM
SCHEMBL27294099 0.71 KDM4E (0.33) GAAMAPTXBP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180088463-A1 RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2018-03-29 — — US disclosed
US-20180081267-A1 RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2018-03-22 — — US disclosed
US-20180081267-A1 RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2018-03-22 — — US disclosed
Send feedback