SCHEMBL30957327

SCHEMBL30957327

CCOCc1ccc(O)c(COCC)c1COCC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.36
▸ L3MBTL1 Q9Y468 3/20 0.36
▸ NPC1 O15118 3/20 0.36
▸ BRD4 O60885 1/20 0.36
▸ MITF O75030 1/20 0.36
▸ CA12 O43570 3/20 0.33
▸ CA1 P00915 3/20 0.33
▸ CA2 P00918 3/20 0.33
▸ CA7 P43166 3/20 0.33
▸ CA9 Q16790 3/20 0.33
▸ CA14 Q9ULX7 3/20 0.33
▸ HTT P42858 3/20 0.33
▸ MAPT P10636 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ TYR P14679 4/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ ALOX5 P09917 1/20 0.31
▸ ALOX15 P16050 1/20 0.31

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
SCHEMBL1835483 1.00 KDM4E (0.36) KDM4EL3MBTL1NPC1BRD4MITF
SCHEMBL1837453 0.85 KDM4E (0.51) KDM4EL3MBTL1NPC1BRD4MITF
SCHEMBL1836713 0.82 CA12 (0.40) KDM4EL3MBTL1NPC1BRD4MITF
SCHEMBL1839673 0.82 KDM4E (0.42) KDM4EL3MBTL1NPC1BRD4MITF
SCHEMBL1839014 0.80 NR5A1 (0.42) KDM4EL3MBTL1NPC1BRD4MITF
SCHEMBL1835983 0.79 NR5A1 (0.45) KDM4EL3MBTL1NPC1BRD4MITF
SCHEMBL1837857 0.79 NR5A1 (0.45) KDM4EL3MBTL1NPC1BRD4MITF
SCHEMBL1835987 0.79 NR5A1 (0.45) KDM4EL3MBTL1NPC1BRD4MITF
SCHEMBL1836161 0.79 NR5A1 (0.45) KDM4EL3MBTL1NPC1BRD4MITF
SCHEMBL1835806 0.79 NR5A1 (0.45) KDM4EL3MBTL1NPC1BRD4MITF

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
CN-118215651-A Method for producing isocyanate compound, method for producing urethane compound, method for recovering amine compound, and isocyanate composition 旭化成株式会社 2024-06-18 — — CN disclosed
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