SCHEMBL21993327

SCHEMBL21993327

O=C(CCOc1ccc(-c2ccc(-c3ccccc3)cc2)cc1)ON1C(=O)CCC1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 1/20 0.52
ALOX12 P18054 1/20 0.50
HDAC3 O15379 9/20 0.48
HDAC4 P56524 9/20 0.48
HDAC1 Q13547 9/20 0.48
HDAC7 Q8WUI4 9/20 0.48
HDAC2 Q92769 9/20 0.48
HDAC10 Q969S8 9/20 0.48
HDAC11 Q96DB2 9/20 0.48
HDAC8 Q9BY41 9/20 0.48
HDAC6 Q9UBN7 9/20 0.48
HDAC9 Q9UKV0 9/20 0.48
HDAC5 Q9UQL6 9/20 0.48
HRH3 Q9Y5N1 4/20 0.44
KCNH2 Q12809 2/20 0.44
HRH4 Q9H3N8 2/20 0.44
LTA4H P09960 2/20 0.44
HRH1 P35367 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL7136952 0.85 ALOX12 (0.43) ALOX12LTA4H
SCHEMBL19543155 0.81 LMNA (0.42) ALOX12HRH3ALDH1A1LMNA
SCHEMBL25493957 0.80 NPSR1 (0.40) ALOX12HRH3ALDH1A1LMNA
SCHEMBL21392317 0.80 SMN1; SMN2 (0.57) HDAC1HDAC8ALDH1A1LMNAPARL
SCHEMBL4738882 0.79 LMNA (0.51) ALDH1A1LMNAPARL
SCHEMBL17732013 0.77 TSHR (0.42) ALOX12ALDH1A1LMNA
SCHEMBL10872844 0.77 ALOX12 (0.54) ALOX12ALDH1A1
SCHEMBL15176976 0.76 L3MBTL1 (0.48) ALOX12ALDH1A1
SCHEMBL19965415 0.75 ALOX12 (0.53) ALOX12HDAC1HDAC2LTA4HLMNA
SCHEMBL21993319 0.75 MMP3 (0.67) MMP3HDAC3HDAC4HDAC1HDAC7

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
US-20200148538-A1 SURFACE-MODIFIED INORGANIC NITRIDE, COMPOSITION, THERMALLY CONDUCTIVE MATERIAL, AND DEVICE WITH THERMALLY CONDUCTIVE LAYER FUJIFILM CORPORATION (JP) 2020-05-14 US disclosed