SCHEMBL19953025

SCHEMBL19953025

NN(CCCc1ccccc1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.58
ALOX5 P09917 4/20 0.54
ADRA1A P35348 2/20 0.52
SLC6A3 Q01959 2/20 0.52
HDAC3 O15379 2/20 0.52
HDAC4 P56524 2/20 0.52
HDAC1 Q13547 2/20 0.52
HDAC7 Q8WUI4 2/20 0.52
HDAC2 Q92769 2/20 0.52
HDAC10 Q969S8 2/20 0.52
HDAC11 Q96DB2 2/20 0.52
HDAC8 Q9BY41 2/20 0.52
HDAC6 Q9UBN7 2/20 0.52
HDAC9 Q9UKV0 2/20 0.52
HDAC5 Q9UQL6 2/20 0.52
MAPK1 P28482 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
TDP1 Q9NUW8 2/20 0.49

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
SCHEMBL25337443 0.94 SIGMAR1 (0.52) AOC3ALOX5ADRA1ASLC6A3HDAC3
SCHEMBL1206390 0.88 AOC3 (0.55) AOC3ALOX5ADRA1ASLC6A3HDAC3
SCHEMBL15918918 0.85 MAPT (0.51) ALOX5ADRA1ASLC6A3HDAC3HDAC4
SCHEMBL25337380 0.85 ESR1 (0.45) AOC3SLC6A3TDP1LMNAKMT2A
SCHEMBL25340496 0.82 TAAR1 (0.49) SLC6A3SLC6A4
SCHEMBL10592695 0.79 AOC3 (0.56) AOC3ALOX5ADRA1ASLC6A3CHRM2
SCHEMBL25337304 0.78 TAAR1 (0.53) HDAC1HDAC8MEN1KMT2AMAPT
SCHEMBL15312924 0.78 ALOX5 (0.71) AOC3ALOX5ADRA1ASLC6A3HDAC3
SCHEMBL1952933 0.78 ALOX5 (0.56) AOC3ALOX5ADRA1ASLC6A3HDAC3
SCHEMBL3383363 0.78 MAOA (0.57) AOC3ALOX5ADRA1ASLC6A3HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3509581-A1 FORMULATIONS OF (R Jazz Pharmaceuticals International III Limited (BM) 2019-07-17 EP disclosed
CN-108635350-A The method for treating vascular leak syndrome 爱尔皮奥治疗有限公司 2018-10-12 CN disclosed
WO-2018048862-A1 FORMULATIONS OF ( R)-2-AMINO-3-PHENYLPROPYL CARBAMATE JAZZ PHARMACEUTICALS INTERNATIONAL III LIMITED (BM) 2018-03-15 WO disclosed