SCHEMBL4368517

SCHEMBL4368517

C=Cc1ccccc1OCCCCC.CCC(C)NC(C)CC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 2/20 0.40
HTR2B P41595 2/20 0.40
MEN1 O00255 1/20 0.40
NR1I2 O75469 1/20 0.40
CHRM2 P08172 1/20 0.40
CYP3A4 P08684 1/20 0.40
ADRA2A P08913 1/20 0.40
MAPT P10636 1/20 0.40
OPRK1 P41145 1/20 0.40
SLC6A3 Q01959 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 2/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL3445063 0.99 PPARG (0.42) PPARGKMT2ALMNAHTR2BMEN1
SCHEMBL3444564 0.96 CYP1A2 (0.44) PPARGKMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL3444115 0.92 KDM4E (0.39) KMT2ALMNAHTR2BMEN1MAPT
SCHEMBL3445608 0.89 PPARG (0.41) PPARGKMT2ALMNAHTR2BMEN1
SCHEMBL3444029 0.87 KMT2A (0.43) PPARGKMT2ALMNAHTR2BMEN1
SCHEMBL924662 0.87 CYP1A2 (0.50) PPARGKMT2ALMNAHTR2BMEN1
Dimethylamine SCHEMBL3445651 0.85 CYP1A2 (0.46) PPARGKMT2ALMNAHTR2BMEN1
SCHEMBL5562266 0.85 KMT2A (0.51) PPARGKMT2ALMNAHTR2BMEN1
SCHEMBL2097272 0.85 KMT2A (0.51) PPARGKMT2ALMNAHTR2BMEN1
SCHEMBL7535277 0.85 KMT2A (0.51) PPARGKMT2ALMNAHTR2BMEN1

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-1829857-B1 Aminoalkoxystyrene, process for preparation thereof, polymer thereof, process for producing the polymer and use thereof TOSOH CORP (JP) 2009-11-04 EP disclosed
EP-1829857-A1 Aminoalkoxystyrene, process for preparation thereof, polymer thereof, process for producing the polymer and use thereof Tosoh Corporation (JP) 2007-09-05 EP disclosed