SCHEMBL3445740

SCHEMBL3445740

C=Cc1ccccc1OCCC.CC(C)(C)NC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
HTT P42858 2/20 0.40
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
GAA P10253 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
NLRP1 Q9C000 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
AR P10275 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL4362496 0.92 CYP1A2 (0.46) ALDH1A1HTTHPGDSMN1; SMN2KMT2A
SCHEMBL3444868 0.91 CYP1A2 (0.41) ALDH1A1HTTHPGDSMN1; SMN2KMT2A
SCHEMBL3445499 0.90 KMT2A (0.43) ALDH1A1HTTSMN1; SMN2KMT2AMEN1
SCHEMBL2098846 0.88 HPGD (0.48) ALDH1A1HTTHPGDSMN1; SMN2KMT2A
Dimethylamine SCHEMBL4364526 0.87 ALDH1A1 (0.44) ALDH1A1HTTHPGDSMN1; SMN2KMT2A
SCHEMBL3446067 0.87 ALDH1A1 (0.39) ALDH1A1HTTHPGDSMN1; SMN2KMT2A
Diethylamine SCHEMBL3445008 0.84 ALDH1A1 (0.46) ALDH1A1HTTHPGDSMN1; SMN2KMT2A
SCHEMBL3445220 0.81 ADRB2 (0.42) ALDH1A1HTTHPGDSMN1; SMN2KMT2A
SCHEMBL406835 0.80 CYP1A2 (0.56) ALDH1A1HTTHPGDSMN1; SMN2KMT2A
SCHEMBL4364851 0.79 ALDH1A1 (0.41) ALDH1A1HTTHPGDSMN1; SMN2KMT2A

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