SCHEMBL3445148

SCHEMBL3445148

C=Cc1ccccc1OCCCC.CC(C)NC(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
HTR1B P28222 1/20 0.38
NR2E1 Q9Y466 1/20 0.38
ADRB2 P07550 3/20 0.38
ADRB1 P08588 3/20 0.38
SLC22A1 O15245 1/20 0.38
LMNA P02545 1/20 0.38
HTR1A P08908 1/20 0.38
CYP2D6 P10635 1/20 0.38
HTR2A P28223 1/20 0.38
SLC6A4 P31645 1/20 0.38
ADRA1A P35348 1/20 0.38
CYP19A1 P11511 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
SCHEMBL3445608 0.95 PPARG (0.41) CYP1A2CYP2C9CYP2C19KMT2ASMN1; SMN2
SCHEMBL3444029 0.94 KMT2A (0.43) CYP1A2CYP2C9CYP2C19KMT2AALDH1A1
SCHEMBL3445220 0.92 ADRB2 (0.42) CYP1A2KMT2ASMN1; SMN2ALDH1A1HPGD
SCHEMBL406835 0.89 CYP1A2 (0.56) CYP1A2CYP2C9CYP2C19KMT2ASMN1; SMN2
SCHEMBL3444564 0.88 CYP1A2 (0.44) CYP1A2CYP2C9CYP2C19KMT2ASMN1; SMN2
Dimethylamine SCHEMBL4372531 0.87 CYP1A2 (0.51) CYP1A2CYP2C9CYP2C19KMT2ASMN1; SMN2
SCHEMBL3444432 0.85 CYP1A2 (0.44) CYP1A2CYP2C9CYP2C19KMT2ASMN1; SMN2
Diethylamine SCHEMBL3445435 0.84 CYP1A2 (0.49) CYP1A2CYP2C9CYP2C19KMT2ASMN1; SMN2
SCHEMBL4368517 0.84 PPARG (0.40) CYP1A2CYP2C9CYP2C19KMT2ASMN1; SMN2
SCHEMBL924662 0.84 CYP1A2 (0.50) CYP1A2CYP2C9CYP2C19KMT2ASMN1; SMN2

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
US-7816475-B2 Aminoalkoxystyrene, process for preparation thereof, polymer thereof, process for producing the polymer and use thereof TOSOH CORPORATION (JP) 2010-10-19 US disclosed
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
US-20070213490-A1 Aminoalkoxystyrene, process for preparation thereof, polymer thereof, process for producing the polymer and use thereof TOSOH CORPORATION 2007-09-13 US 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