SCHEMBL28047887

SCHEMBL28047887

c1ccc(OCCCCCC2CO2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.59
KCNA3 P22001 2/20 0.57
HDAC3 O15379 1/20 0.52
HDAC4 P56524 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
HDAC9 Q9UKV0 1/20 0.52
HDAC5 Q9UQL6 1/20 0.52
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
TAAR1 Q96RJ0 1/20 0.47
HTR1A P08908 2/20 0.47
ADRA1D P25100 1/20 0.47
ADRA1A P35348 1/20 0.47
ALDH1A1 P00352 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
SCHEMBL26606320 1.00 TDP1 (0.59) TDP1KCNA3HDAC3HDAC4HDAC1
SCHEMBL5686791 0.98 TDP1 (0.61) TDP1KCNA3HDAC3HDAC4HDAC1
SCHEMBL3626061 0.93 TDP1 (0.63) TDP1KCNA3HDAC3HDAC4HDAC1
SCHEMBL8541225 0.88 MGLL (0.50) TDP1HDAC6MEN1KMT2AALDH1A1
SCHEMBL3619067 0.87 TDP1 (0.66) TDP1KCNA3MEN1KMT2ATAAR1
SCHEMBL4290974 0.86 KCNA3 (0.53) TDP1KCNA3HDAC3HDAC4HDAC1
SCHEMBL1133426 0.86 KCNA3 (0.53) TDP1KCNA3HDAC3HDAC4HDAC1
SCHEMBL2720901 0.86 HRH3 (0.42) TDP1HDAC3HDAC4HDAC1HDAC7
SCHEMBL2720688 0.86 HRH3 (0.42) TDP1HDAC3HDAC4HDAC1HDAC7
SCHEMBL2718715 0.86 HRH3 (0.42) TDP1HDAC3HDAC4HDAC1HDAC7

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
CN-105246940-B Optical semiconductor sealing solidification compound 株式会社大赛璐 2018-09-04 CN disclosed
CN-105246940-A Curable composition for sealing optical semiconductor DAICEL CORP 2016-01-13 CN disclosed