SCHEMBL28833768

SCHEMBL28833768

CC(=O)OCCCCCOc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.59
L3MBTL1 Q9Y468 2/20 0.57
HDAC1 Q13547 3/20 0.56
HDAC2 Q92769 3/20 0.56
GAA P10253 1/20 0.55
MTNR1A P48039 1/20 0.54
MTNR1B P49286 1/20 0.54
HDAC3 O15379 1/20 0.53
HDAC4 P56524 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC11 Q96DB2 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
HDAC9 Q9UKV0 1/20 0.53
HDAC5 Q9UQL6 1/20 0.53
HTT P42858 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
POLB P06746 1/20 0.53
APEX1 P27695 1/20 0.53

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
SCHEMBL8328391 0.94 L3MBTL1 (0.59) KCNA3L3MBTL1HDAC1HDAC2MTNR1A
SCHEMBL9487294 0.90 HDAC1 (0.63) HDAC1HDAC2GAAHDAC3HDAC4
Acetic Acid Butyl Ester SCHEMBL27968251 0.89 LTA4H (0.62) L3MBTL1TDP1
SCHEMBL144171 0.89 THRB (0.61) KCNA3L3MBTL1MTNR1AMTNR1BTDP1
Phosphine SCHEMBL21815751 0.87 THRB (0.59) KCNA3L3MBTL1MTNR1AMTNR1BTDP1
Ethyl Acetate SCHEMBL9445254 0.85 LTA4H (0.58) TDP1
SCHEMBL10764618 0.84 L3MBTL1 (0.57) KCNA3L3MBTL1HDAC1HDAC2GAA
SCHEMBL10030195 0.84 L3MBTL1 (0.59) L3MBTL1GAAMTNR1AMTNR1BHTT
SCHEMBL21308031 0.84 NR5A1 (0.62) L3MBTL1GAAHTTTDP1POLB
SCHEMBL21322109 0.84 THRB (0.56) L3MBTL1MTNR1AMTNR1BTDP1MMP12

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-114867350-A Low volatility polyamine salts of anionic pesticides 巴斯夫公司 2022-08-05 CN disclosed