SCHEMBL19305014

SCHEMBL19305014

CCCNCC(C)C(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.47
ADRA2A P08913 1/20 0.47
ADRA2B P18089 1/20 0.47
HTR2A P28223 1/20 0.47
HRH1 P35367 1/20 0.47
KCNH2 Q12809 1/20 0.47
SLC6A3 Q01959 2/20 0.44
SLC6A2 P23975 1/20 0.44
ANPEP P15144 1/20 0.44
ERAP2 Q6P179 1/20 0.44
ABCB1 P08183 3/20 0.43
HTR1A P08908 1/20 0.43
CYP2D6 P10635 1/20 0.43
SCN1A P35498 1/20 0.43
SCN5A Q14524 1/20 0.43
SCN2A Q99250 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
SCN3A Q9NY46 1/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 3/20 0.42

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
SCHEMBL8697982 0.79 PGR (0.49) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL29016421 0.77 KMT2A (0.50) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL1824157 0.77 PGR (0.55) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL17002137 0.77 PGR (0.55) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL10489465 0.76 PGR (0.58) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL2128162 0.76 PGR (0.58) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL27507926 0.76 PGR (0.53) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL23714005 0.75 SLC6A2 (0.45) SLC6A3SLC6A2HDAC3HDAC1HDAC2
SCHEMBL14089108 0.75 L3MBTL1 (0.54) ADRA2BSLC6A3SLC6A2ABCB1SCN5A
Benzoic Acid SCHEMBL4086034 0.74 TSHR (0.58) SLC6A3HTR1ACYP2D6SCN1ASCN5A

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
EP-2585431-B1 METAL FREE BLEACHING COMPOSITION BASF SE (DE) 2017-09-06 EP claimed
EP-2585431-B1 METAL FREE BLEACHING COMPOSITION BASF SE (DE) 2017-09-06 EP disclosed