SCHEMBL28074644

SCHEMBL28074644

CCCCOc1ccccc1C(=O)OC.c1cc2ccc1-2

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.58
NPSR1 Q6W5P4 3/20 0.58
HSP90AA1 P07900 2/20 0.58
HTT P42858 2/20 0.58
SLC6A3 Q01959 3/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
NR1I2 O75469 1/20 0.56
LMNA P02545 1/20 0.56
CHRM2 P08172 1/20 0.56
CYP3A4 P08684 1/20 0.56
ADRA2A P08913 1/20 0.56
OPRK1 P41145 1/20 0.56
HTR2B P41595 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
CYP1A2 P05177 2/20 0.55
CYP2C19 P33261 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
ALDH1A1 P00352 4/20 0.54
HPGD P15428 2/20 0.54

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
SCHEMBL7956581 0.95 MAPT (0.62) MAPTNPSR1HSP90AA1HTTSLC6A3
Benzene SCHEMBL28006415 0.94 MAPT (0.60) MAPTNPSR1HSP90AA1HTTSLC6A3
SCHEMBL6770205 0.91 MAPT (0.68) MAPTNPSR1HSP90AA1HTTSLC6A3
SCHEMBL7954710 0.89 LMNA (0.70) MAPTNPSR1HSP90AA1HTTSLC6A3
SCHEMBL9305910 0.89 LMNA (0.70) MAPTNPSR1HSP90AA1HTTSLC6A3
SCHEMBL31406534 0.89 LMNA (0.70) MAPTNPSR1HSP90AA1HTTSLC6A3
SCHEMBL9309481 0.89 LMNA (0.70) MAPTNPSR1HSP90AA1HTTSLC6A3
SCHEMBL22324528 0.89 LMNA (0.70) MAPTNPSR1HSP90AA1HTTSLC6A3
SCHEMBL22439001 0.89 LMNA (0.70) MAPTNPSR1HSP90AA1HTTSLC6A3
SCHEMBL14438107 0.89 LMNA (0.70) MAPTNPSR1HSP90AA1HTTSLC6A3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111410600-A Preparation method of p-phenylbutoxy benzoic acid 安徽省诚联医药科技有限公司 2020-07-14 CN claimed
CN-111410600-A Preparation method of p-phenylbutoxy benzoic acid 安徽省诚联医药科技有限公司 2020-07-14 CN disclosed
CN-111410600-A Preparation method of p-phenylbutoxy benzoic acid 安徽省诚联医药科技有限公司 2020-07-14 CN disclosed
CN-105732367-A P-phenylbutoxy benzoic acid and preparation method thereof 叶芳 2016-07-06 CN disclosed