SCHEMBL3445802

SCHEMBL3445802

C=Cc1cccc(OCCCCCC)c1.CC(C)CNCC(C)C

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
SMPD1 P17405 3/20 0.44
TLR4 O00206 1/20 0.44
TLR2 O60603 1/20 0.44
CYP2D6 P10635 3/20 0.42
KMT2A Q03164 1/20 0.41
ALOX5 P09917 1/20 0.41
CACNA1B Q00975 2/20 0.40
PLA2G4B P0C869 2/20 0.40
KCNH2 Q12809 1/20 0.40
CYSLTR2 Q9NS75 1/20 0.39

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
SCHEMBL3444118 0.99 TSHR (0.46) TSHRSMPD1TLR4TLR2CYP2D6
SCHEMBL3444914 0.95 TLR4 (0.49) TSHRTLR4TLR2CYP2D6KMT2A
SCHEMBL4376033 0.91 ADRB2 (0.42) TLR4TLR2KMT2ACACNA1B
SCHEMBL7757960 0.88 TSHR (0.59) TSHRSMPD1TLR4TLR2ALOX5
SCHEMBL8402393 0.88 TSHR (0.59) TSHRSMPD1TLR4TLR2ALOX5
SCHEMBL10071520 0.88 TSHR (0.59) TSHRSMPD1TLR4TLR2ALOX5
SCHEMBL2623211 0.88 TSHR (0.59) TSHRSMPD1TLR4TLR2ALOX5
SCHEMBL3445340 0.87 TSHR (0.50) TSHRSMPD1TLR4TLR2ALOX5
Diethylamine SCHEMBL3445792 0.87 TSHR (0.52) TSHRSMPD1TLR4TLR2CYP2D6
Dimethylamine SCHEMBL4361280 0.87 TSHR (0.55) TSHRSMPD1TLR4TLR2KMT2A

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