SCHEMBL12410174

SCHEMBL12410174

CCC(C)Oc1c(OC)cc(/C=C/c2ccc(C(=O)OC)c3ccccc23)cc1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.43
▸ LMNA P02545 5/20 0.43
▸ HPGD P15428 4/20 0.43
▸ GAA P10253 4/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ BACE1 P56817 1/20 0.41
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ HTT P42858 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ TUBB4A P04350 3/20 0.39
▸ TUBB P07437 3/20 0.39
▸ TUBA3C P0DPH7 3/20 0.39
▸ TUBA1B P68363 3/20 0.39
▸ TUBA4A P68366 3/20 0.39
▸ TUBB4B P68371 3/20 0.39

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
SCHEMBL14160803 0.88 TUBB1 (0.48) LMNAKMT2ATUBB4ATUBBTUBA3C
SCHEMBL12410175 0.85 LMNA (0.52) LMNABACE1HDAC1HDAC2HDAC8
SCHEMBL14160814 0.83 TUBB1 (0.45) LMNAHDAC1HDAC2HDAC8TUBB4A
SCHEMBL14409150 0.79 PTGS1 (0.46) BACE1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL12611172 0.78 PTGS1 (0.45) ALDH1A1LMNAHPGDGAAKDM4E
SCHEMBL14160806 0.77 CYP1A1 (0.43) HDAC1HDAC2HDAC8TUBB4ATUBB
SCHEMBL12980407 0.77 TUBB4A (0.39) LMNATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL14409154 0.76 TUBB4A (0.53) ALDH1A1LMNAHPGDGAAKDM4E
SCHEMBL870986 0.75 CYP1A2 (0.49) ALDH1A1LMNAKDM4EBACE1MEN1
SCHEMBL870987 0.75 CYP1A2 (0.49) ALDH1A1LMNAKDM4EBACE1MEN1

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
US-20110165387-A1 ACTINIC ENERGY RADIATION CURABLE INK-JET INK, IMAGE FORMING METHOD USING THE SAME, AND PRINTED MATTER OBTAINED THEREBY KONICA MINOLTA IJ TECHNOLOGIES, INC. (JP) 2011-07-07 — — US disclosed
US-20110165387-A1 ACTINIC ENERGY RADIATION CURABLE INK-JET INK, IMAGE FORMING METHOD USING THE SAME, AND PRINTED MATTER OBTAINED THEREBY KONICA MINOLTA IJ TECHNOLOGIES, INC. (JP) 2011-07-07 — — US disclosed
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